2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid

C16H11ClO5 — CID 3008371

IUPAC2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid
SMILESCOC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)c(C(=O)O)c1
InChIInChI=1S/C16H11ClO5/c1-22-16(21)10-4-7-12(13(8-10)15(19)20)14(18)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,19,20)
InChIKeyMAHZEMMKKHSKMY-UHFFFAOYSA-N
MW318.71 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid

2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid (PubChem CID 3008371) has the molecular formula C16H11ClO5 and a molecular weight of 318.71 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid
PubChem CID3008371
Molecular FormulaC16H11ClO5
Molecular Weight318.71 g/mol
Exact Mass318.03
IUPAC Name2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid
SMILESCOC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)c(C(=O)O)c1
InChIInChI=1S/C16H11ClO5/c1-22-16(21)10-4-7-12(13(8-10)15(19)20)14(18)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,19,20)
InChIKeyMAHZEMMKKHSKMY-UHFFFAOYSA-N
XLogP3.06
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid 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 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid?
The IUPAC name of 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid (CID 3008371) is 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid.
What is the SMILES notation for 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid?
The canonical SMILES for 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid is COC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)c(C(=O)O)c1.
What is the InChIKey of 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid?
The InChIKey is MAHZEMMKKHSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO5/c1-22-16(21)10-4-7-12(13(8-10)15(19)20)14(18)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid?
2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid has a molecular weight of 318.71 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-5-methoxycarbonylbenzoic acid is sourced from PubChem (CID 3008371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).