4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid

C15H13FO3 — CID 117220532

IUPAC4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
SMILESCc1cc(COc2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C15H13FO3/c1-10-8-11(2-7-14(10)15(17)18)9-19-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPYPCXMHVOLFNQN-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid

4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid (PubChem CID 117220532) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
PubChem CID117220532
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
SMILESCc1cc(COc2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C15H13FO3/c1-10-8-11(2-7-14(10)15(17)18)9-19-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPYPCXMHVOLFNQN-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzoic acid
CID 70007981
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
2-fluoro-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106698429
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 106698232
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
5-[(4-fluorophenoxy)methyl]-2-methylaniline
CID 117221912
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid (CID 117220532) is 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid is Cc1cc(COc2ccc(F)cc2)ccc1C(=O)O.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid?
The InChIKey is PYPCXMHVOLFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-8-11(2-7-14(10)15(17)18)9-19-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid?
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid is sourced from PubChem (CID 117220532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).