4-fluoro-3-(2-methoxyphenyl)pentanoic acid

C12H15FO3 — CID 115035494

IUPAC4-fluoro-3-(2-methoxyphenyl)pentanoic acid
SMILESCOc1ccccc1C(CC(=O)O)C(C)F
InChIInChI=1S/C12H15FO3/c1-8(13)10(7-12(14)15)9-5-3-4-6-11(9)16-2/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyQGWGGRLFPIANQY-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.61
Rot. Bonds5

About 4-fluoro-3-(2-methoxyphenyl)pentanoic acid

4-fluoro-3-(2-methoxyphenyl)pentanoic acid (PubChem CID 115035494) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-fluoro-3-(2-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name4-fluoro-3-(2-methoxyphenyl)pentanoic acid
PubChem CID115035494
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name4-fluoro-3-(2-methoxyphenyl)pentanoic acid
SMILESCOc1ccccc1C(CC(=O)O)C(C)F
InChIInChI=1S/C12H15FO3/c1-8(13)10(7-12(14)15)9-5-3-4-6-11(9)16-2/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyQGWGGRLFPIANQY-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(2-methoxyphenyl)hexanoic acid
CID 66097523
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
3-(2-methoxyphenyl)-3-triphenylgermylpropanoic acid
CID 15180324
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
CID 10822802
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
3-[(2-methoxyphenyl)methylsulfinyl]butanoic acid
CID 66114815
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
CID 175042356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methoxyphenyl)pentanoic acid?
The IUPAC name of 4-fluoro-3-(2-methoxyphenyl)pentanoic acid (CID 115035494) is 4-fluoro-3-(2-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 4-fluoro-3-(2-methoxyphenyl)pentanoic acid?
The canonical SMILES for 4-fluoro-3-(2-methoxyphenyl)pentanoic acid is COc1ccccc1C(CC(=O)O)C(C)F.
What is the InChIKey of 4-fluoro-3-(2-methoxyphenyl)pentanoic acid?
The InChIKey is QGWGGRLFPIANQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(13)10(7-12(14)15)9-5-3-4-6-11(9)16-2/h3-6,8,10H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-fluoro-3-(2-methoxyphenyl)pentanoic acid?
4-fluoro-3-(2-methoxyphenyl)pentanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 115035494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).