methyl 3-(4-chlorobenzoyl)benzoate

C15H11ClO3 — CID 15984758

IUPACmethyl 3-(4-chlorobenzoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClO3/c1-19-15(18)12-4-2-3-11(9-12)14(17)10-5-7-13(16)8-6-10/h2-9H,1H3
InChIKeyTWTDDMKSCFFCTP-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.36
Rot. Bonds3

About methyl 3-(4-chlorobenzoyl)benzoate

methyl 3-(4-chlorobenzoyl)benzoate (PubChem CID 15984758) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is methyl 3-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorobenzoyl)benzoate
PubChem CID15984758
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Namemethyl 3-(4-chlorobenzoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClO3/c1-19-15(18)12-4-2-3-11(9-12)14(17)10-5-7-13(16)8-6-10/h2-9H,1H3
InChIKeyTWTDDMKSCFFCTP-UHFFFAOYSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-chlorobenzoyl)benzoate 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

CID 70265363
CID 70265363
CID 159558349
CID 159558349
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
methyl 3-[(E)-C-chloro-N-hydroxycarbonimidoyl]benzoate
CID 87739837
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 3-acetylbenzoate
CID 15094405
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorobenzoyl)benzoate?
The IUPAC name of methyl 3-(4-chlorobenzoyl)benzoate (CID 15984758) is methyl 3-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for methyl 3-(4-chlorobenzoyl)benzoate?
The canonical SMILES for methyl 3-(4-chlorobenzoyl)benzoate is COC(=O)c1cccc(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 3-(4-chlorobenzoyl)benzoate?
The InChIKey is TWTDDMKSCFFCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c1-19-15(18)12-4-2-3-11(9-12)14(17)10-5-7-13(16)8-6-10/h2-9H,1H3.
What are the key properties of methyl 3-(4-chlorobenzoyl)benzoate?
methyl 3-(4-chlorobenzoyl)benzoate has a molecular weight of 274.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 15984758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).