diphenylmethanone;2-phenylcyclohexan-1-ol;propanal

C28H32O3 — CID 175312849

IUPACdiphenylmethanone;2-phenylcyclohexan-1-ol;propanal
SMILESCCC=O.O=C(c1ccccc1)c1ccccc1.OC1CCCCC1c1ccccc1
InChIInChI=1S/C13H10O.C12H16O.C3H6O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-3-4/h1-10H;1-3,6-7,11-13H,4-5,8-9H2;3H,2H2,1H3
InChIKeyQALBPYCUNXWGTL-UHFFFAOYSA-N
MW416.56 g/mol
LogP6.22
Rot. Bonds4

About diphenylmethanone;2-phenylcyclohexan-1-ol;propanal

diphenylmethanone;2-phenylcyclohexan-1-ol;propanal (PubChem CID 175312849) has the molecular formula C28H32O3 and a molecular weight of 416.56 g/mol. Its IUPAC name is diphenylmethanone;2-phenylcyclohexan-1-ol;propanal.

Molecular Properties

Compound Namediphenylmethanone;2-phenylcyclohexan-1-ol;propanal
PubChem CID175312849
Molecular FormulaC28H32O3
Molecular Weight416.56 g/mol
Exact Mass416.24
IUPAC Namediphenylmethanone;2-phenylcyclohexan-1-ol;propanal
SMILESCCC=O.O=C(c1ccccc1)c1ccccc1.OC1CCCCC1c1ccccc1
InChIInChI=1S/C13H10O.C12H16O.C3H6O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-3-4/h1-10H;1-3,6-7,11-13H,4-5,8-9H2;3H,2H2,1H3
InChIKeyQALBPYCUNXWGTL-UHFFFAOYSA-N
XLogP6.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone;propanal
CID 159329764
(2-bromocyclohexyl)benzene;propanal
CID 174523163
cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
CID 158450943
cyclohexane-1,2-dicarboxylic acid;diphenylmethanone
CID 175435053
phthalic acid;propanal
CID 160555514
(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
CID 144802014
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
2-[ethyl-(2-phenylcyclohexyl)amino]-2-methylpropanoic acid
CID 105403589
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
diphenylmethanone;ethane
CID 158014879
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;2-phenylcyclohexan-1-ol;propanal?
The IUPAC name of diphenylmethanone;2-phenylcyclohexan-1-ol;propanal (CID 175312849) is diphenylmethanone;2-phenylcyclohexan-1-ol;propanal.
What is the SMILES notation for diphenylmethanone;2-phenylcyclohexan-1-ol;propanal?
The canonical SMILES for diphenylmethanone;2-phenylcyclohexan-1-ol;propanal is CCC=O.O=C(c1ccccc1)c1ccccc1.OC1CCCCC1c1ccccc1.
What is the InChIKey of diphenylmethanone;2-phenylcyclohexan-1-ol;propanal?
The InChIKey is QALBPYCUNXWGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H16O.C3H6O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-3-4/h1-10H;1-3,6-7,11-13H,4-5,8-9H2;3H,2H2,1H3.
What are the key properties of diphenylmethanone;2-phenylcyclohexan-1-ol;propanal?
diphenylmethanone;2-phenylcyclohexan-1-ol;propanal has a molecular weight of 416.56 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;2-phenylcyclohexan-1-ol;propanal is sourced from PubChem (CID 175312849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).