(1,1'-Biphenyl)-4-ol, 2',3,4',5,5'-pentachloro-
PubChem CID
181441
Structure
Molecular Formula
Synonyms
- 4'-Hydroxy-PCB 120
- 2',3,4',5,5'-pentachloro-(1,1'-Biphenyl)-4-ol
- 4-OH-PCB 120
- 4'-OH-CB120
- 149589-56-0
Molecular Weight
342.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-09
- Modify:2025-02-01
Chemical Structure Depiction
2,6-dichloro-4-(2,4,5-trichlorophenyl)phenol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H5Cl5O/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4,18H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QUUXIRZLTXYDLY-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H5Cl5O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
149589-56-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
342.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
6.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
341.875353 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
339.878303 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
278
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)
166.6181 Ų [M-H]- [CCS Type: cIM (TWIMS); Drift Gas: nitrogen; Method: calibrated with in-house mix]
S116 | REFCCS | Collision Cross Section (CCS) Values from Literature | DOI:10.5281/zenodo.10932895
Potential endocrine disrupting compound
S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus(1,1'-Biphenyl)-4-ol, 2',3,4',5,5'-pentachloro-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0149589560ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2',3,4',5,5'-pentachloro-(1,1'-Biphenyl)-4-olhttps://comptox.epa.gov/dashboard/DTXSID90164347CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/4'-OH-CB120NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Wikidata(1,1'-Biphenyl)-4-ol, 2',3,4',5,5'-pentachloro-https://www.wikidata.org/wiki/Q83033431
- PubChem
CONTENTS