3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid

C15H13ClO3 — CID 112612027

IUPAC3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(COc2c(Cl)cccc2C(=O)O)cc1
InChIInChI=1S/C15H13ClO3/c1-10-5-7-11(8-6-10)9-19-14-12(15(17)18)3-2-4-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIPPAYCVTIURBJD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.93
Rot. Bonds4

About 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid

3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid (PubChem CID 112612027) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
PubChem CID112612027
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(COc2c(Cl)cccc2C(=O)O)cc1
InChIInChI=1S/C15H13ClO3/c1-10-5-7-11(8-6-10)9-19-14-12(15(17)18)3-2-4-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIPPAYCVTIURBJD-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
CID 115955877
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
3-chloro-2-heptoxybenzoic acid
CID 112611877
3-methyl-2-[(4-methylsulfanylphenyl)methoxy]benzoic acid
CID 60911050
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid (CID 112612027) is 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid is Cc1ccc(COc2c(Cl)cccc2C(=O)O)cc1.
What is the InChIKey of 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid?
The InChIKey is IPPAYCVTIURBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-5-7-11(8-6-10)9-19-14-12(15(17)18)3-2-4-13(14)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid?
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 112612027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).