4-(3-chlorophenyl)benzene-1,2-diol

C12H9ClO2 — CID 86178660

IUPAC4-(3-chlorophenyl)benzene-1,2-diol
SMILESOc1ccc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C12H9ClO2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7,14-15H
InChIKeyVUJAOJNAJBGLGD-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.42
Rot. Bonds1

About 4-(3-chlorophenyl)benzene-1,2-diol

4-(3-chlorophenyl)benzene-1,2-diol (PubChem CID 86178660) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-chlorophenyl)benzene-1,2-diol
PubChem CID86178660
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name4-(3-chlorophenyl)benzene-1,2-diol
SMILESOc1ccc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C12H9ClO2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7,14-15H
InChIKeyVUJAOJNAJBGLGD-UHFFFAOYSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.42
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 4-(3-chlorophenyl)benzene-1,2-diol?
The IUPAC name of 4-(3-chlorophenyl)benzene-1,2-diol (CID 86178660) is 4-(3-chlorophenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-chlorophenyl)benzene-1,2-diol?
The canonical SMILES for 4-(3-chlorophenyl)benzene-1,2-diol is Oc1ccc(-c2cccc(Cl)c2)cc1O.
What is the InChIKey of 4-(3-chlorophenyl)benzene-1,2-diol?
The InChIKey is VUJAOJNAJBGLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7,14-15H.
What are the key properties of 4-(3-chlorophenyl)benzene-1,2-diol?
4-(3-chlorophenyl)benzene-1,2-diol has a molecular weight of 220.66 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)benzene-1,2-diol is sourced from PubChem (CID 86178660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).