1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene

C32H38 — CID 58698248

IUPAC1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
SMILESC/C=C/CCc1ccc(-c2ccc(C3CCC(C[C@H](C)c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H38/c1-3-4-6-9-26-12-16-29(17-13-26)31-20-22-32(23-21-31)30-18-14-27(15-19-30)24-25(2)28-10-7-5-8-11-28/h3-5,7-8,10-13,16-17,20-23,25,27,30H,6,9,14-15,18-19,24H2,1-2H3/b4-3+/t25-,27?,30?/m0/s1
InChIKeyKKRIKXUIDXSJQF-GYKAWRSMSA-N
MW422.66 g/mol
LogP9.33
Rot. Bonds8

About 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene

1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene (PubChem CID 58698248) has the molecular formula C32H38 and a molecular weight of 422.66 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
PubChem CID58698248
Molecular FormulaC32H38
Molecular Weight422.66 g/mol
Exact Mass422.30
IUPAC Name1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
SMILESC/C=C/CCc1ccc(-c2ccc(C3CCC(C[C@H](C)c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H38/c1-3-4-6-9-26-12-16-29(17-13-26)31-20-22-32(23-21-31)30-18-14-27(15-19-30)24-25(2)28-10-7-5-8-11-28/h3-5,7-8,10-13,16-17,20-23,25,27,30H,6,9,14-15,18-19,24H2,1-2H3/b4-3+/t25-,27?,30?/m0/s1
InChIKeyKKRIKXUIDXSJQF-GYKAWRSMSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene 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

1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052664
2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 90730414
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
2-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-5-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 58698391
2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91059235
4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzonitrile
CID 21052969
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 90787490
1,3-difluoro-2-pent-3-enyl-5-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91318136
1,3-difluoro-5-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698580

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene (CID 58698248) is 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene is C/C=C/CCc1ccc(-c2ccc(C3CCC(C[C@H](C)c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
The InChIKey is KKRIKXUIDXSJQF-GYKAWRSMSA-N. The full InChI is InChI=1S/C32H38/c1-3-4-6-9-26-12-16-29(17-13-26)31-20-22-32(23-21-31)30-18-14-27(15-19-30)24-25(2)28-10-7-5-8-11-28/h3-5,7-8,10-13,16-17,20-23,25,27,30H,6,9,14-15,18-19,24H2,1-2H3/b4-3+/t25-,27?,30?/m0/s1.
What are the key properties of 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene?
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene has a molecular weight of 422.66 g/mol, XLogP of 9.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 58698248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).