2-(4-cyclobutylphenyl)-2-hydroxypropanal

C13H16O2 — CID 116505401

IUPAC2-(4-cyclobutylphenyl)-2-hydroxypropanal
SMILESCC(O)(C=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H16O2/c1-13(15,9-14)12-7-5-11(6-8-12)10-3-2-4-10/h5-10,15H,2-4H2,1H3
InChIKeyUYSLGEONCQWKMA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.36
Rot. Bonds3

About 2-(4-cyclobutylphenyl)-2-hydroxypropanal

2-(4-cyclobutylphenyl)-2-hydroxypropanal (PubChem CID 116505401) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-2-hydroxypropanal.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-2-hydroxypropanal
PubChem CID116505401
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(4-cyclobutylphenyl)-2-hydroxypropanal
SMILESCC(O)(C=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H16O2/c1-13(15,9-14)12-7-5-11(6-8-12)10-3-2-4-10/h5-10,15H,2-4H2,1H3
InChIKeyUYSLGEONCQWKMA-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
CID 116505399
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-2-hydroxypropanal?
The IUPAC name of 2-(4-cyclobutylphenyl)-2-hydroxypropanal (CID 116505401) is 2-(4-cyclobutylphenyl)-2-hydroxypropanal.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-2-hydroxypropanal?
The canonical SMILES for 2-(4-cyclobutylphenyl)-2-hydroxypropanal is CC(O)(C=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-2-hydroxypropanal?
The InChIKey is UYSLGEONCQWKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(15,9-14)12-7-5-11(6-8-12)10-3-2-4-10/h5-10,15H,2-4H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)-2-hydroxypropanal?
2-(4-cyclobutylphenyl)-2-hydroxypropanal has a molecular weight of 204.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-2-hydroxypropanal is sourced from PubChem (CID 116505401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).