(3-bromo-4-chlorophenyl)methanol

C7H6BrClO — CID 50998689

IUPAC(3-bromo-4-chlorophenyl)methanol
SMILESOCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
InChIKeyZUXLQZNUPRSYEX-UHFFFAOYSA-N
MW221.48 g/mol
LogP2.59
Rot. Bonds1

About (3-bromo-4-chlorophenyl)methanol

(3-bromo-4-chlorophenyl)methanol (PubChem CID 50998689) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)methanol
PubChem CID50998689
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name(3-bromo-4-chlorophenyl)methanol
SMILESOCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
InChIKeyZUXLQZNUPRSYEX-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-chlorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)methanol (CID 50998689) is (3-bromo-4-chlorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)methanol is OCc1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)methanol?
The InChIKey is ZUXLQZNUPRSYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2.
What are the key properties of (3-bromo-4-chlorophenyl)methanol?
(3-bromo-4-chlorophenyl)methanol has a molecular weight of 221.48 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)methanol is sourced from PubChem (CID 50998689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).