2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid

C15H13FO3 — CID 60652984

IUPAC2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
SMILESCc1ccc(OCc2cccc(F)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-10-5-6-14(13(7-10)15(17)18)19-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAAGBBTCEOXIPOY-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid

2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid (PubChem CID 60652984) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
PubChem CID60652984
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
SMILESCc1ccc(OCc2cccc(F)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-10-5-6-14(13(7-10)15(17)18)19-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAAGBBTCEOXIPOY-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

5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 115961948
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
2-[(3-chlorophenyl)methoxy]-5-(3-methylphenyl)benzoic acid
CID 175660787
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid (CID 60652984) is 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid is Cc1ccc(OCc2cccc(F)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid?
The InChIKey is AAGBBTCEOXIPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-5-6-14(13(7-10)15(17)18)19-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid?
2-[(3-fluorophenyl)methoxy]-5-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 2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid is sourced from PubChem (CID 60652984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).