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CID 66596758

PubChem CID
66596758
Structure
CID 66596758_small.png
Molecular Formula
Status
Non-live
Molecular Weight
162.23 g/mol
Dates
  • Create:
    2012-11-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 66596758.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-phenylpent-1-en-1-ol

2.1.2 InChI

InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-9,12H,2-3H2,1H3

2.1.3 InChIKey

KTIGWXXOVWRGSS-UHFFFAOYSA-N

2.1.4 SMILES

CCCC=C(C1=CC=CC=C1)O

2.2 Molecular Formula

C11H14O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
162.23 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
162.104465066 g/mol
Property Name
Monoisotopic Mass
Property Value
162.104465066 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
143
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS