1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene

C23H28 — CID 5135294

IUPAC1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
SMILESCCCCCC1CC=C(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28/c1-2-3-5-8-19-11-13-21(14-12-19)23-17-15-22(16-18-23)20-9-6-4-7-10-20/h4,6-7,9-10,13,15-19H,2-3,5,8,11-12,14H2,1H3
InChIKeyONIUZKWYLVSNPD-UHFFFAOYSA-N
MW304.48 g/mol
LogP7.12
Rot. Bonds6

About 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene

1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene (PubChem CID 5135294) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
PubChem CID5135294
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
SMILESCCCCCC1CC=C(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28/c1-2-3-5-8-19-11-13-21(14-12-19)23-17-15-22(16-18-23)20-9-6-4-7-10-20/h4,6-7,9-10,13,15-19H,2-3,5,8,11-12,14H2,1H3
InChIKeyONIUZKWYLVSNPD-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene 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-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
CID 20538151
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
4-(4-octylcyclohexen-1-yl)benzonitrile
CID 70571980
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
4-(4-butylcyclohexen-1-yl)benzonitrile
CID 575809
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538092

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene?
The IUPAC name of 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene (CID 5135294) is 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene.
What is the SMILES notation for 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene?
The canonical SMILES for 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene is CCCCCC1CC=C(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene?
The InChIKey is ONIUZKWYLVSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-2-3-5-8-19-11-13-21(14-12-19)23-17-15-22(16-18-23)20-9-6-4-7-10-20/h4,6-7,9-10,13,15-19H,2-3,5,8,11-12,14H2,1H3.
What are the key properties of 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene?
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene has a molecular weight of 304.48 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene is sourced from PubChem (CID 5135294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).