3-(2,2-diphenylethyl)hex-2-en-1-ol

C20H24O — CID 174745025

IUPAC3-(2,2-diphenylethyl)hex-2-en-1-ol
SMILESCCCC(=CCO)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O/c1-2-9-17(14-15-21)16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-14,20-21H,2,9,15-16H2,1H3
InChIKeyKWERHDRYOXSSQR-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.93
Rot. Bonds7

About 3-(2,2-diphenylethyl)hex-2-en-1-ol

3-(2,2-diphenylethyl)hex-2-en-1-ol (PubChem CID 174745025) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(2,2-diphenylethyl)hex-2-en-1-ol.

Molecular Properties

Compound Name3-(2,2-diphenylethyl)hex-2-en-1-ol
PubChem CID174745025
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name3-(2,2-diphenylethyl)hex-2-en-1-ol
SMILESCCCC(=CCO)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O/c1-2-9-17(14-15-21)16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-14,20-21H,2,9,15-16H2,1H3
InChIKeyKWERHDRYOXSSQR-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[(E,1S)-5-hydroxy-3-methyl-1-phenylpent-3-enyl]propanedioate
CID 132540269
oxalic acid;1-phenylpropylbenzene
CID 67824543
3,3-diphenyl-N-propylpropanamide
CID 4638647
2-benzhydrylpent-2-en-1-ol
CID 154240876
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468
pentan-2-ylbenzene
CID 17627
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
butanoic acid;1-phenylpropane-1,2,3-triol
CID 174886420
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
CID 123267099
CID 123267099
(Z)-4-phenylpent-2-en-1-ol
CID 10725679

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethyl)hex-2-en-1-ol?
The IUPAC name of 3-(2,2-diphenylethyl)hex-2-en-1-ol (CID 174745025) is 3-(2,2-diphenylethyl)hex-2-en-1-ol.
What is the SMILES notation for 3-(2,2-diphenylethyl)hex-2-en-1-ol?
The canonical SMILES for 3-(2,2-diphenylethyl)hex-2-en-1-ol is CCCC(=CCO)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2-diphenylethyl)hex-2-en-1-ol?
The InChIKey is KWERHDRYOXSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-9-17(14-15-21)16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-14,20-21H,2,9,15-16H2,1H3.
What are the key properties of 3-(2,2-diphenylethyl)hex-2-en-1-ol?
3-(2,2-diphenylethyl)hex-2-en-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethyl)hex-2-en-1-ol is sourced from PubChem (CID 174745025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).