2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid

C16H15FO4 — CID 102875976

IUPAC2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
SMILESCOc1ccc(COc2cc(C)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C16H15FO4/c1-10-3-6-13(16(18)19)15(7-10)21-9-11-4-5-12(20-2)8-14(11)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLICBBDMLDGYZHJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.42
Rot. Bonds5

About 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid

2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid (PubChem CID 102875976) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
PubChem CID102875976
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
SMILESCOc1ccc(COc2cc(C)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C16H15FO4/c1-10-3-6-13(16(18)19)15(7-10)21-9-11-4-5-12(20-2)8-14(11)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLICBBDMLDGYZHJ-UHFFFAOYSA-N
XLogP3.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
2-[(5-bromo-2-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61379280
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
(1S)-1-[2-[(2-fluoro-4-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 102877108
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
2-[(3-bromo-4-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61037590
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid (CID 102875976) is 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid is COc1ccc(COc2cc(C)ccc2C(=O)O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid?
The InChIKey is LICBBDMLDGYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-10-3-6-13(16(18)19)15(7-10)21-9-11-4-5-12(20-2)8-14(11)17/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid?
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid is sourced from PubChem (CID 102875976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).