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

C14H11ClO3 — CID 39232682

IUPAC5-chloro-2-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-18-13-5-3-2-4-11(13)10-7-6-9(15)8-12(10)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyAQBKUTMVNZXXHO-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.71
Rot. Bonds3

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

5-chloro-2-(2-methoxyphenyl)benzoic acid (PubChem CID 39232682) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-methoxyphenyl)benzoic acid
PubChem CID39232682
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name5-chloro-2-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H11ClO3/c1-18-13-5-3-2-4-11(13)10-7-6-9(15)8-12(10)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyAQBKUTMVNZXXHO-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-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
CID 2233630
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 5-chloro-2-(2-methoxyphenyl)benzoic acid?
The IUPAC name of 5-chloro-2-(2-methoxyphenyl)benzoic acid (CID 39232682) is 5-chloro-2-(2-methoxyphenyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-methoxyphenyl)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-methoxyphenyl)benzoic acid is COc1ccccc1-c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-methoxyphenyl)benzoic acid?
The InChIKey is AQBKUTMVNZXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-13-5-3-2-4-11(13)10-7-6-9(15)8-12(10)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 5-chloro-2-(2-methoxyphenyl)benzoic acid?
5-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 5-chloro-2-(2-methoxyphenyl)benzoic acid is sourced from PubChem (CID 39232682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).