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

C14H11ClO3 — CID 53225407

IUPAC4-chloro-2-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-18-13-5-3-2-4-10(13)12-8-9(15)6-7-11(12)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyMHCFSODBRNYULW-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.71
Rot. Bonds3

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

4-chloro-2-(2-methoxyphenyl)benzoic acid (PubChem CID 53225407) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyphenyl)benzoic acid
PubChem CID53225407
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name4-chloro-2-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-18-13-5-3-2-4-10(13)12-8-9(15)6-7-11(12)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyMHCFSODBRNYULW-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

5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(2-methoxyphenyl)benzoic acid (CID 53225407) is 4-chloro-2-(2-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-methoxyphenyl)benzoic acid is COc1ccccc1-c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-methoxyphenyl)benzoic acid?
The InChIKey is MHCFSODBRNYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-13-5-3-2-4-10(13)12-8-9(15)6-7-11(12)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-(2-methoxyphenyl)benzoic acid?
4-chloro-2-(2-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-chloro-2-(2-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53225407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).