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

C14H11ClO3 — CID 53225426

IUPAC3-chloro-5-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cc(Cl)cc(C(=O)O)c2)c1
InChIInChI=1S/C14H11ClO3/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8H,1H3,(H,16,17)
InChIKeyJMLYJZBBCHQNKB-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.71
Rot. Bonds3

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

3-chloro-5-(3-methoxyphenyl)benzoic acid (PubChem CID 53225426) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(3-methoxyphenyl)benzoic acid
PubChem CID53225426
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name3-chloro-5-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cc(Cl)cc(C(=O)O)c2)c1
InChIInChI=1S/C14H11ClO3/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8H,1H3,(H,16,17)
InChIKeyJMLYJZBBCHQNKB-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-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
3-chloro-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226408
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methoxyphenyl)benzoic acid?
The IUPAC name of 3-chloro-5-(3-methoxyphenyl)benzoic acid (CID 53225426) is 3-chloro-5-(3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(3-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(3-methoxyphenyl)benzoic acid is COc1cccc(-c2cc(Cl)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-chloro-5-(3-methoxyphenyl)benzoic acid?
The InChIKey is JMLYJZBBCHQNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8H,1H3,(H,16,17).
What are the key properties of 3-chloro-5-(3-methoxyphenyl)benzoic acid?
3-chloro-5-(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 3-chloro-5-(3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53225426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).