2-(4-cyclobutylphenyl)propanoic acid

C13H16O2 — CID 116506632

IUPAC2-(4-cyclobutylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H16O2/c1-9(13(14)15)10-5-7-12(8-6-10)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,14,15)
InChIKeyUDYCOEQBZUUUAZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-cyclobutylphenyl)propanoic acid

2-(4-cyclobutylphenyl)propanoic acid (PubChem CID 116506632) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)propanoic acid
PubChem CID116506632
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(4-cyclobutylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H16O2/c1-9(13(14)15)10-5-7-12(8-6-10)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,14,15)
InChIKeyUDYCOEQBZUUUAZ-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[(1S,2R)-2-hydroxycyclopentyl]phenyl]propanoic acid
CID 70124455
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
CID 154252055
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
(2S)-2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 10037656
2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 13148395
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
(2S)-2-[4-(cyclohexanecarbonyl)phenyl]propanoic acid
CID 57323646

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)propanoic acid?
The IUPAC name of 2-(4-cyclobutylphenyl)propanoic acid (CID 116506632) is 2-(4-cyclobutylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-cyclobutylphenyl)propanoic acid?
The canonical SMILES for 2-(4-cyclobutylphenyl)propanoic acid is CC(C(=O)O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)propanoic acid?
The InChIKey is UDYCOEQBZUUUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(13(14)15)10-5-7-12(8-6-10)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-(4-cyclobutylphenyl)propanoic acid?
2-(4-cyclobutylphenyl)propanoic acid has a molecular weight of 204.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)propanoic acid is sourced from PubChem (CID 116506632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).