4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid

C15H12F2O3 — CID 104637832

IUPAC4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
SMILESCc1cc(OCc2cc(F)ccc2C(=O)O)ccc1F
InChIInChI=1S/C15H12F2O3/c1-9-6-12(3-5-14(9)17)20-8-10-7-11(16)2-4-13(10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLZHOZWJFQVZJSQ-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.55
Rot. Bonds4

About 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid

4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid (PubChem CID 104637832) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
PubChem CID104637832
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
SMILESCc1cc(OCc2cc(F)ccc2C(=O)O)ccc1F
InChIInChI=1S/C15H12F2O3/c1-9-6-12(3-5-14(9)17)20-8-10-7-11(16)2-4-13(10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLZHOZWJFQVZJSQ-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

2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
[4-[(2,5-difluorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 113347343
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
2-ethyl-4-fluorobenzoic acid
CID 22101376
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid (CID 104637832) is 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid is Cc1cc(OCc2cc(F)ccc2C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid?
The InChIKey is LZHOZWJFQVZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-9-6-12(3-5-14(9)17)20-8-10-7-11(16)2-4-13(10)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid?
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]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 4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 104637832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).