3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid

C17H17FO3 — CID 82141893

IUPAC3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(F)cc1CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17FO3/c1-17(16(19)20,13-6-4-3-5-7-13)11-12-10-14(18)8-9-15(12)21-2/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyGHRPQRARMDEHSV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.42
Rot. Bonds5

About 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid

3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid (PubChem CID 82141893) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid
PubChem CID82141893
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(F)cc1CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17FO3/c1-17(16(19)20,13-6-4-3-5-7-13)11-12-10-14(18)8-9-15(12)21-2/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyGHRPQRARMDEHSV-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4,4-dimethylpentanoic acid
CID 151842062
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid (CID 82141893) is 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid is COc1ccc(F)cc1CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid?
The InChIKey is GHRPQRARMDEHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-17(16(19)20,13-6-4-3-5-7-13)11-12-10-14(18)8-9-15(12)21-2/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid?
3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 82141893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).