2-phenylbenzene-1,4-diol

C12H10O2 — CID 14116

IUPAC2-phenylbenzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyXCZKKZXWDBOGPA-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.76
Rot. Bonds1

About 2-phenylbenzene-1,4-diol

2-phenylbenzene-1,4-diol (PubChem CID 14116) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-phenylbenzene-1,4-diol.

Molecular Properties

Compound Name2-phenylbenzene-1,4-diol
PubChem CID14116
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-phenylbenzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyXCZKKZXWDBOGPA-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Thymol
CID 6989
Bisphenol A
CID 6623
2-Naphthol
CID 8663
Tert-Butylhydroquinone
CID 16043
Dienestrol
CID 667476
1-Naphthol
CID 7005
(1,1'-Biphenyl)-2-ol
CID 7017
Magnolol
CID 72300
Hexestrol
CID 192197
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
2-Ethylphenol
CID 6997

Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzene-1,4-diol?
The IUPAC name of 2-phenylbenzene-1,4-diol (CID 14116) is 2-phenylbenzene-1,4-diol.
What is the SMILES notation for 2-phenylbenzene-1,4-diol?
The canonical SMILES for 2-phenylbenzene-1,4-diol is Oc1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 2-phenylbenzene-1,4-diol?
The InChIKey is XCZKKZXWDBOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H.
What are the key properties of 2-phenylbenzene-1,4-diol?
2-phenylbenzene-1,4-diol has a molecular weight of 186.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzene-1,4-diol is sourced from PubChem (CID 14116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).