2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid

C12H15FO2 — CID 105372500

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid
SMILESCCC(Cc1cc(F)ccc1C)C(=O)O
InChIInChI=1S/C12H15FO2/c1-3-9(12(14)15)6-10-7-11(13)5-4-8(10)2/h4-5,7,9H,3,6H2,1-2H3,(H,14,15)
InChIKeyONPSZOFADMROFU-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.79
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid

2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid (PubChem CID 105372500) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid
PubChem CID105372500
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid
SMILESCCC(Cc1cc(F)ccc1C)C(=O)O
InChIInChI=1S/C12H15FO2/c1-3-9(12(14)15)6-10-7-11(13)5-4-8(10)2/h4-5,7,9H,3,6H2,1-2H3,(H,14,15)
InChIKeyONPSZOFADMROFU-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793090
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
3-ethyl-1-(5-fluoro-2-methylphenyl)heptan-2-one
CID 105376810
2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
CID 104512974
2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104792787
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60794341
2-[(6-methyl-1,3-benzodioxol-5-yl)methyl]butanoic acid
CID 116930667
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
2-(3-bromo-2-ethylbutyl)-4-fluoro-1-methylbenzene
CID 105374724
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid (CID 105372500) is 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid is CCC(Cc1cc(F)ccc1C)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid?
The InChIKey is ONPSZOFADMROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-9(12(14)15)6-10-7-11(13)5-4-8(10)2/h4-5,7,9H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid?
2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid has a molecular weight of 210.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid is sourced from PubChem (CID 105372500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).