5-chloro-2-(3-methoxyphenyl)benzoic acid

C14H11ClO3 — CID 39232676

IUPAC5-chloro-2-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H11ClO3/c1-18-11-4-2-3-9(7-11)12-6-5-10(15)8-13(12)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyYPBMRKLIDQPOSY-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.71
Rot. Bonds3

About 5-chloro-2-(3-methoxyphenyl)benzoic acid

5-chloro-2-(3-methoxyphenyl)benzoic acid (PubChem CID 39232676) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(3-methoxyphenyl)benzoic acid
PubChem CID39232676
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name5-chloro-2-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H11ClO3/c1-18-11-4-2-3-9(7-11)12-6-5-10(15)8-13(12)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyYPBMRKLIDQPOSY-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-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
2-[3-iodo-4-(3-iodophenyl)phenyl]-5-methoxybenzoic acid
CID 130342644
5-methoxy-2-[3-(2-methylpropyl)phenyl]benzoic acid
CID 116545184
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxyphenyl)benzoic acid?
The IUPAC name of 5-chloro-2-(3-methoxyphenyl)benzoic acid (CID 39232676) is 5-chloro-2-(3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(3-methoxyphenyl)benzoic acid?
The canonical SMILES for 5-chloro-2-(3-methoxyphenyl)benzoic acid is COc1cccc(-c2ccc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-chloro-2-(3-methoxyphenyl)benzoic acid?
The InChIKey is YPBMRKLIDQPOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-11-4-2-3-9(7-11)12-6-5-10(15)8-13(12)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 5-chloro-2-(3-methoxyphenyl)benzoic acid?
5-chloro-2-(3-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-(3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 39232676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).