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CID 23344258

PubChem CID
23344258
Structure
CID 23344258_small.png
Molecular Formula
Status
Non-live
Molecular Weight
356.5 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 23344258.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzene;2-phenylethanol

2.1.2 InChI

InChI=1S/C8H10O.3C6H6/c9-7-6-8-4-2-1-3-5-8;3*1-2-4-6-5-3-1/h1-5,9H,6-7H2;3*1-6H

2.1.3 InChIKey

XJEOAVRCLPKCKT-UHFFFAOYSA-N

2.1.4 SMILES

C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=C(C=C1)CCO

2.2 Molecular Formula

C26H28O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
356.5 g/mol
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
2
Property Name
Exact Mass
Property Value
356.214015512 g/mol
Property Name
Monoisotopic Mass
Property Value
356.214015512 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
80.5
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
0
Property Name
Covalently-Bonded Unit Count
Property Value
4
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS