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

C15H13ClO3 — CID 112612002

IUPAC3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccccc1COc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C15H13ClO3/c1-10-5-2-3-6-11(10)9-19-14-12(15(17)18)7-4-8-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyGQCWHPUMNJTNRG-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.93
Rot. Bonds4

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

3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid (PubChem CID 112612002) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
PubChem CID112612002
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccccc1COc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C15H13ClO3/c1-10-5-2-3-6-11(10)9-19-14-12(15(17)18)7-4-8-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyGQCWHPUMNJTNRG-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-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
3-chloro-2-[(4-cyano-2-methylphenyl)methoxy]benzoic acid
CID 114482412
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
CID 107306555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid (CID 112612002) is 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid is Cc1ccccc1COc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid?
The InChIKey is GQCWHPUMNJTNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-5-2-3-6-11(10)9-19-14-12(15(17)18)7-4-8-13(14)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid?
3-chloro-2-[(2-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-[(2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 112612002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).