3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid

C17H17FO3 — CID 70863911

IUPAC3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(OCc2ccccc2)c(F)c1)C(=O)O
InChIInChI=1S/C17H17FO3/c1-12(17(19)20)9-14-7-8-16(15(18)10-14)21-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyVAFYUDNOHJITHY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.67
Rot. Bonds6

About 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid

3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid (PubChem CID 70863911) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
PubChem CID70863911
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(OCc2ccccc2)c(F)c1)C(=O)O
InChIInChI=1S/C17H17FO3/c1-12(17(19)20)9-14-7-8-16(15(18)10-14)21-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyVAFYUDNOHJITHY-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
3-[4-[(5-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-3-fluorophenyl]-2-methylpropanoic acid
CID 58566370
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
[(1S)-2-(3-fluoro-4-phenylmethoxyphenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87489341
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801
3-[4-[(5-chloro-2-methylidene-3H-1-benzofuran-7-yl)methoxy]-3-fluorophenyl]-2-methylpropanoic acid
CID 89049263
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid (CID 70863911) is 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid is CC(Cc1ccc(OCc2ccccc2)c(F)c1)C(=O)O.
What is the InChIKey of 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid?
The InChIKey is VAFYUDNOHJITHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-12(17(19)20)9-14-7-8-16(15(18)10-14)21-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,19,20).
What are the key properties of 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid?
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 70863911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).