4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid

C15H11ClO4 — CID 53218456

IUPAC4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H11ClO4/c1-20-15(19)11-6-7-13(16)12(8-11)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyDICWBLOECXAKDR-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.49
Rot. Bonds3

About 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid

4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid (PubChem CID 53218456) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
PubChem CID53218456
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H11ClO4/c1-20-15(19)11-6-7-13(16)12(8-11)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyDICWBLOECXAKDR-UHFFFAOYSA-N
XLogP3.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
2-(2-chloro-5-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53228431
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
4-chloro-3-(4-methylsulfinylphenyl)benzoic acid
CID 68553754
4-(4-chloro-3-methoxycarbonylphenyl)-3-hydroxybenzoic acid
CID 53228498
4-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484293
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
CID 67391169
CID 67391169

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid?
The IUPAC name of 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid (CID 53218456) is 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid.
What is the SMILES notation for 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid?
The canonical SMILES for 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid is COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid?
The InChIKey is DICWBLOECXAKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-20-15(19)11-6-7-13(16)12(8-11)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid?
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid has a molecular weight of 290.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid is sourced from PubChem (CID 53218456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).