3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid

C15H20O2 — CID 117336660

IUPAC3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(C2CCC2)cc1)C(=O)O
InChIInChI=1S/C15H20O2/c1-15(2,14(16)17)10-11-6-8-13(9-7-11)12-4-3-5-12/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyVUOZCAFGTQVSIK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.61
Rot. Bonds4

About 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid

3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117336660) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid
PubChem CID117336660
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(C2CCC2)cc1)C(=O)O
InChIInChI=1S/C15H20O2/c1-15(2,14(16)17)10-11-6-8-13(9-7-11)12-4-3-5-12/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyVUOZCAFGTQVSIK-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117467737
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
2,2-dimethyl-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117446763
(2S)-3-(4-cyclobutylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 155588216
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
3-[4-[(azetidine-1-carbonylamino)methyl]phenyl]-2,2-dimethylpropanoic acid
CID 167923652
2-(4-cyclohexylphenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21084282
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117368524

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid (CID 117336660) is 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid is CC(C)(Cc1ccc(C2CCC2)cc1)C(=O)O.
What is the InChIKey of 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is VUOZCAFGTQVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2,14(16)17)10-11-6-8-13(9-7-11)12-4-3-5-12/h6-9,12H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid?
3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117336660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).