3-phenylbenzene-1,2-diol

C12H10O2 — CID 254

IUPAC3-phenylbenzene-1,2-diol
SMILESOc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
InChIKeyYKOQAAJBYBTSBS-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.76
Rot. Bonds1

About 3-phenylbenzene-1,2-diol

3-phenylbenzene-1,2-diol (PubChem CID 254) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-phenylbenzene-1,2-diol.

Molecular Properties

Compound Name3-phenylbenzene-1,2-diol
PubChem CID254
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name3-phenylbenzene-1,2-diol
SMILESOc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
InChIKeyYKOQAAJBYBTSBS-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzene-1,2-diol?
The IUPAC name of 3-phenylbenzene-1,2-diol (CID 254) is 3-phenylbenzene-1,2-diol.
What is the SMILES notation for 3-phenylbenzene-1,2-diol?
The canonical SMILES for 3-phenylbenzene-1,2-diol is Oc1cccc(-c2ccccc2)c1O.
What is the InChIKey of 3-phenylbenzene-1,2-diol?
The InChIKey is YKOQAAJBYBTSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H.
What are the key properties of 3-phenylbenzene-1,2-diol?
3-phenylbenzene-1,2-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 3-phenylbenzene-1,2-diol is sourced from PubChem (CID 254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).