5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid

C15H13FO3 — CID 115298089

IUPAC5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
SMILESCc1cccc(COc2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-10-3-2-4-11(7-10)9-19-14-6-5-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXVFYZBMLVVROPH-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid

5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid (PubChem CID 115298089) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
PubChem CID115298089
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
SMILESCc1cccc(COc2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-10-3-2-4-11(7-10)9-19-14-6-5-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXVFYZBMLVVROPH-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-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(3-chlorophenyl)methoxy]-5-(3-methylphenyl)benzoic acid
CID 175660787
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid (CID 115298089) is 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid is Cc1cccc(COc2ccc(F)cc2C(=O)O)c1.
What is the InChIKey of 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid?
The InChIKey is XVFYZBMLVVROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-3-2-4-11(7-10)9-19-14-6-5-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid?
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic 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 5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 115298089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).