4-(2-chlorophenyl)-2-methoxybenzoic acid

C14H11ClO3 — CID 53225805

IUPAC4-(2-chlorophenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccccc2Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-18-13-8-9(6-7-11(13)14(16)17)10-4-2-3-5-12(10)15/h2-8H,1H3,(H,16,17)
InChIKeyOFBUCLWCTKCTRW-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.71
Rot. Bonds3

About 4-(2-chlorophenyl)-2-methoxybenzoic acid

4-(2-chlorophenyl)-2-methoxybenzoic acid (PubChem CID 53225805) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methoxybenzoic acid
PubChem CID53225805
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name4-(2-chlorophenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccccc2Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-18-13-8-9(6-7-11(13)14(16)17)10-4-2-3-5-12(10)15/h2-8H,1H3,(H,16,17)
InChIKeyOFBUCLWCTKCTRW-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

4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
CID 57398512
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(2-chlorophenyl)-2-methoxybenzoic acid (CID 53225805) is 4-(2-chlorophenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(2-chlorophenyl)-2-methoxybenzoic acid is COc1cc(-c2ccccc2Cl)ccc1C(=O)O.
What is the InChIKey of 4-(2-chlorophenyl)-2-methoxybenzoic acid?
The InChIKey is OFBUCLWCTKCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-13-8-9(6-7-11(13)14(16)17)10-4-2-3-5-12(10)15/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(2-chlorophenyl)-2-methoxybenzoic acid?
4-(2-chlorophenyl)-2-methoxybenzoic 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-chlorophenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53225805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).