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

C14H11ClO3 — CID 53218398

IUPAC4-(2-chloro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H11ClO3/c1-18-11-6-7-13(15)12(8-11)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyXORRDGGWSMQYIO-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.71
Rot. Bonds3

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

4-(2-chloro-5-methoxyphenyl)benzoic acid (PubChem CID 53218398) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-chloro-5-methoxyphenyl)benzoic acid
PubChem CID53218398
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name4-(2-chloro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H11ClO3/c1-18-11-6-7-13(15)12(8-11)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyXORRDGGWSMQYIO-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
4-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484293
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxyphenyl)benzoic acid?
The IUPAC name of 4-(2-chloro-5-methoxyphenyl)benzoic acid (CID 53218398) is 4-(2-chloro-5-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-(2-chloro-5-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-(2-chloro-5-methoxyphenyl)benzoic acid is COc1ccc(Cl)c(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(2-chloro-5-methoxyphenyl)benzoic acid?
The InChIKey is XORRDGGWSMQYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-11-6-7-13(15)12(8-11)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(2-chloro-5-methoxyphenyl)benzoic acid?
4-(2-chloro-5-methoxyphenyl)benzoic acid has a molecular weight of 262.69 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53218398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).