2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid

C15H12ClFO3 — CID 102855411

IUPAC2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClFO3/c1-9-4-2-6-11(15(18)19)14(9)20-8-10-5-3-7-12(16)13(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRHEVTTBRCPYQIQ-UHFFFAOYSA-N
MW294.71 g/mol
LogP4.06
Rot. Bonds4

About 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid

2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid (PubChem CID 102855411) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
PubChem CID102855411
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClFO3/c1-9-4-2-6-11(15(18)19)14(9)20-8-10-5-3-7-12(16)13(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRHEVTTBRCPYQIQ-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
3-methyl-2-[(4-methylsulfanylphenyl)methoxy]benzoic acid
CID 60911050

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid (CID 102855411) is 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1OCc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
The InChIKey is RHEVTTBRCPYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-9-4-2-6-11(15(18)19)14(9)20-8-10-5-3-7-12(16)13(10)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid has a molecular weight of 294.71 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 102855411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).