3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid

C15H13FO3 — CID 176508630

IUPAC3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)cc(F)c1C
InChIInChI=1S/C15H13FO3/c1-9-12(7-10(15(17)18)8-13(9)16)11-5-3-4-6-14(11)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyVOGZOMAYLUEKBU-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

About 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid

3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid (PubChem CID 176508630) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
PubChem CID176508630
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)cc(F)c1C
InChIInChI=1S/C15H13FO3/c1-9-12(7-10(15(17)18)8-13(9)16)11-5-3-4-6-14(11)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyVOGZOMAYLUEKBU-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone
CID 118330428
3-fluoro-5-[(2-methoxyphenyl)-methylsulfamoyl]-4-methylbenzoic acid
CID 56799726
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
3-(2-methoxyphenyl)benzoic acid
CID 2759547
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
CID 176508639
4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
CID 145364125

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid (CID 176508630) is 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid is COc1ccccc1-c1cc(C(=O)O)cc(F)c1C.
What is the InChIKey of 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid?
The InChIKey is VOGZOMAYLUEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-12(7-10(15(17)18)8-13(9)16)11-5-3-4-6-14(11)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid?
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 176508630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).