2-(3-Hydroxypropyl)phenol
PubChem CID
266742
Structure
Molecular Formula
Synonyms
- 2-(3-hydroxypropyl)phenol
- 1481-92-1
- 2-(3-HYDROXY-PROPYL)-PHENOL
- Benzenepropanol, 2-hydroxy-
- 1-Propanol, 3-(o-hydroxyphenyl)-
Molecular Weight
152.19 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
2-(3-hydroxypropyl)phenol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H12O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,10-11H,3,5,7H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
TYNMOIYXEIAPHL-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C(=C1)CCCO)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H12O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1481-92-1
- 2-(3-hydroxypropyl)phenol
- 1481-92-1
- 2-(3-HYDROXY-PROPYL)-PHENOL
- Benzenepropanol, 2-hydroxy-
- 1-Propanol, 3-(o-hydroxyphenyl)-
- NSC105514
- 2-Hydroxy-benzenepropanol
- 3-(hydroxyphenyl)propanol
- 3-(o-Hydroxyphenyl)propanol
- SCHEMBL169275
- DTXSID70295784
- TYNMOIYXEIAPHL-UHFFFAOYSA-N
- 3-(-o-hydroxyphenyl)-1-propanol
- AKOS006290824
- NSC-105514
- SB83948
- DB-012881
- CS-0269582
- EN300-1869820
- J-505796
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
152.19 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
152.083729621 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
152.083729621 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
40.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
104
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=TYNMOIYXEIAPHL-UHFFFAOYSA-N
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseBenzenepropanol, 2-hydroxy-https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=105514
- EPA DSSTox2-(3-hydroxypropyl)phenolhttps://comptox.epa.gov/dashboard/DTXSID70295784
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Chemistry
- SpectraBase1-Propanol, 3-(o-hydroxyphenyl)-https://spectrabase.com/spectrum/3X4jUqhC1g1-Propanol, 3-(o-hydroxyphenyl)-https://spectrabase.com/spectrum/1aF0a5HWU2w
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata2-(3-hydroxypropyl)phenolhttps://www.wikidata.org/wiki/Q82035939
- PubChem
- PATENTSCOPE (WIPO)SID 403569955https://pubchem.ncbi.nlm.nih.gov/substance/403569955
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