2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde

C12H14O2 — CID 24974530

IUPAC2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde
SMILESO=CC(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C12H14O2/c13-9-12(14,11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9,11,14H,4,7-8H2
InChIKeyZDRSWMFPOJCENJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.87
Rot. Bonds3

About 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde

2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde (PubChem CID 24974530) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde
PubChem CID24974530
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde
SMILESO=CC(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C12H14O2/c13-9-12(14,11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9,11,14H,4,7-8H2
InChIKeyZDRSWMFPOJCENJ-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 87692062
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
2-cyclohexyl-2-(methylamino)-2-phenylacetaldehyde
CID 174829123
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
CID 11974794
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178
4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
CID 115040165
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
CID 71390062

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde?
The IUPAC name of 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde (CID 24974530) is 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde.
What is the SMILES notation for 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde?
The canonical SMILES for 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde is O=CC(O)(c1ccccc1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde?
The InChIKey is ZDRSWMFPOJCENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-9-12(14,11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9,11,14H,4,7-8H2.
What are the key properties of 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde?
2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde has a molecular weight of 190.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-hydroxy-2-phenylacetaldehyde is sourced from PubChem (CID 24974530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).