4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol

C22H26O — CID 16664434

IUPAC4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol
SMILESOC1(/C=C/CCc2ccccc2)CCC(c2ccccc2)CC1
InChIInChI=1S/C22H26O/c23-22(16-8-7-11-19-9-3-1-4-10-19)17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,8-10,12-13,16,21,23H,7,11,14-15,17-18H2/b16-8+
InChIKeyUBIGYZVJIPQWAM-LZYBPNLTSA-N
MW306.45 g/mol
LogP5.26
Rot. Bonds5

About 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol

4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol (PubChem CID 16664434) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol
PubChem CID16664434
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol
SMILESOC1(/C=C/CCc2ccccc2)CCC(c2ccccc2)CC1
InChIInChI=1S/C22H26O/c23-22(16-8-7-11-19-9-3-1-4-10-19)17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,8-10,12-13,16,21,23H,7,11,14-15,17-18H2/b16-8+
InChIKeyUBIGYZVJIPQWAM-LZYBPNLTSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.26
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

1-(2-aminoethyl)-4-phenylcyclohexan-1-ol
CID 79127234
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
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CID 169432340
6-phenylspiro[2.5]octane
CID 123640963
pent-3-enylbenzene
CID 519421
hepta-3,5-dienylbenzene
CID 54230830
7-phenylhepta-2,4-dien-1-ol
CID 123622539
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
benzene;cyclopropylbenzene
CID 144638417
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 135374835
[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
CID 14665877

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol?
The IUPAC name of 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol (CID 16664434) is 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol is OC1(/C=C/CCc2ccccc2)CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol?
The InChIKey is UBIGYZVJIPQWAM-LZYBPNLTSA-N. The full InChI is InChI=1S/C22H26O/c23-22(16-8-7-11-19-9-3-1-4-10-19)17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,8-10,12-13,16,21,23H,7,11,14-15,17-18H2/b16-8+.
What are the key properties of 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol?
4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(E)-4-phenylbut-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 16664434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).