(4-chlorophenyl)methyl 2-bromobenzoate

C14H10BrClO2 — CID 962049

IUPAC(4-chlorophenyl)methyl 2-bromobenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C14H10BrClO2/c15-13-4-2-1-3-12(13)14(17)18-9-10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyFXHJZWWVZKLHGL-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.46
Rot. Bonds3

About (4-chlorophenyl)methyl 2-bromobenzoate

(4-chlorophenyl)methyl 2-bromobenzoate (PubChem CID 962049) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-bromobenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-bromobenzoate
PubChem CID962049
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name(4-chlorophenyl)methyl 2-bromobenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C14H10BrClO2/c15-13-4-2-1-3-12(13)14(17)18-9-10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyFXHJZWWVZKLHGL-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)methyl 2-bromobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
(4-bromophenyl)methyl 2,4-dichlorobenzoate
CID 1218346
(2-bromophenyl)methyl 4-chlorobenzoate
CID 102346194
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
(3-cyanophenyl)methyl 2-bromobenzoate
CID 7476786
(4-chlorophenyl)methyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 45355350
(4-chlorophenyl)methyl 2-acetamido-5-bromobenzoate
CID 19591123

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-bromobenzoate?
The IUPAC name of (4-chlorophenyl)methyl 2-bromobenzoate (CID 962049) is (4-chlorophenyl)methyl 2-bromobenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-bromobenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 2-bromobenzoate is O=C(OCc1ccc(Cl)cc1)c1ccccc1Br.
What is the InChIKey of (4-chlorophenyl)methyl 2-bromobenzoate?
The InChIKey is FXHJZWWVZKLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c15-13-4-2-1-3-12(13)14(17)18-9-10-5-7-11(16)8-6-10/h1-8H,9H2.
What are the key properties of (4-chlorophenyl)methyl 2-bromobenzoate?
(4-chlorophenyl)methyl 2-bromobenzoate has a molecular weight of 325.59 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-bromobenzoate is sourced from PubChem (CID 962049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).