4-[(2-chlorophenyl)methyl]benzene-1,2-diol

C13H11ClO2 — CID 44634400

IUPAC4-[(2-chlorophenyl)methyl]benzene-1,2-diol
SMILESOc1ccc(Cc2ccccc2Cl)cc1O
InChIInChI=1S/C13H11ClO2/c14-11-4-2-1-3-10(11)7-9-5-6-12(15)13(16)8-9/h1-6,8,15-16H,7H2
InChIKeyFUTBTMGZBOYUPW-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.34
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]benzene-1,2-diol

4-[(2-chlorophenyl)methyl]benzene-1,2-diol (PubChem CID 44634400) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]benzene-1,2-diol
PubChem CID44634400
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name4-[(2-chlorophenyl)methyl]benzene-1,2-diol
SMILESOc1ccc(Cc2ccccc2Cl)cc1O
InChIInChI=1S/C13H11ClO2/c14-11-4-2-1-3-10(11)7-9-5-6-12(15)13(16)8-9/h1-6,8,15-16H,7H2
InChIKeyFUTBTMGZBOYUPW-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.34
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-[(2-chlorophenyl)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(2-chlorophenyl)methyl]benzene-1,2-diol (CID 44634400) is 4-[(2-chlorophenyl)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]benzene-1,2-diol is Oc1ccc(Cc2ccccc2Cl)cc1O.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]benzene-1,2-diol?
The InChIKey is FUTBTMGZBOYUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-11-4-2-1-3-10(11)7-9-5-6-12(15)13(16)8-9/h1-6,8,15-16H,7H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]benzene-1,2-diol?
4-[(2-chlorophenyl)methyl]benzene-1,2-diol has a molecular weight of 234.68 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]benzene-1,2-diol is sourced from PubChem (CID 44634400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).