3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid

C17H17FO3 — CID 82140408

IUPAC3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1ccc(C)cc1C(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C17H17FO3/c1-11-6-7-16(21-2)14(8-11)15(17(19)20)10-12-4-3-5-13(18)9-12/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyQNHKHSPEPLYPOA-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.55
Rot. Bonds5

About 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid

3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 82140408) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
PubChem CID82140408
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1ccc(C)cc1C(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C17H17FO3/c1-11-6-7-16(21-2)14(8-11)15(17(19)20)10-12-4-3-5-13(18)9-12/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyQNHKHSPEPLYPOA-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-1-methoxy-4-methylbenzene
CID 66042915
2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 83951966
2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
CID 83954789
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid
CID 112511848
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243277
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid (CID 82140408) is 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid is COc1ccc(C)cc1C(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is QNHKHSPEPLYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11-6-7-16(21-2)14(8-11)15(17(19)20)10-12-4-3-5-13(18)9-12/h3-9,15H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid?
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 82140408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).