2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid

C15H12F2O3 — CID 107675308

IUPAC2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(F)cc1COc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H12F2O3/c1-9-2-3-11(16)6-10(9)8-20-12-4-5-13(15(18)19)14(17)7-12/h2-7H,8H2,1H3,(H,18,19)
InChIKeyIOLAOKIBXDHFER-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid

2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid (PubChem CID 107675308) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
PubChem CID107675308
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(F)cc1COc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H12F2O3/c1-9-2-3-11(16)6-10(9)8-20-12-4-5-13(15(18)19)14(17)7-12/h2-7H,8H2,1H3,(H,18,19)
InChIKeyIOLAOKIBXDHFER-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
5-chloro-4-[(3-chloro-4-methylphenoxy)methyl]-2-fluorobenzoic acid
CID 118501542
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
CID 105371732

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid (CID 107675308) is 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid is Cc1ccc(F)cc1COc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
The InChIKey is IOLAOKIBXDHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-9-2-3-11(16)6-10(9)8-20-12-4-5-13(15(18)19)14(17)7-12/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 107675308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).