Benzhydrol

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CAS Number

91-01-0

MDL Number

MFCD00004488

Smiles

C1=CC=C (C=C1) C (C2=CC=CC=C2) O

Molecular Formula

C13H12O

Molecular Weight

184.23 g/mol

Controlled

Chemical Information

Benzhydrol

Diphenylmethanol is a secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite, a human urinary metabolite and a rat metabolite. It is a member of benzyl alcohols and a secondary alcohol. It derives from a hydride of a diphenylmethane.

CAS Number	91-01-0
PubChem CID	7037
IUPAC Name	diphenylmethanol
Molecular Formula	C13H12O
Molecular Weight	184.23
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	137

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)O

InChI

InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H

InChIKey

QILSFLSDHQAZET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-01-0

CID: 7037

Formula: C13H12O

MW: 184.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	184.23
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	184.088815002
Monoisotopic Mass	184.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Benzhydrol

Chemical Information

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