1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene

C24H30 — CID 18341909

IUPAC1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
SMILESC/C=C/CCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C24H30/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h3-4,7-8,11-12,15-18,20,22H,5-6,9-10,13-14H2,1-2H3/b4-3+
InChIKeyOSEGRSWKSZYORA-ONEGZZNKSA-N
MW318.50 g/mol
LogP7.29
Rot. Bonds5

About 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene

1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene (PubChem CID 18341909) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
PubChem CID18341909
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
SMILESC/C=C/CCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C24H30/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h3-4,7-8,11-12,15-18,20,22H,5-6,9-10,13-14H2,1-2H3/b4-3+
InChIKeyOSEGRSWKSZYORA-ONEGZZNKSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[4-[4-[(E)-pent-3-enyl]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-(4-but-3-enylcyclohexyl)-4-(4-methylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-(4-methylphenyl)benzene;1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 161280634
2-[4-(4-methylphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869936
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 158251328
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
CID 145235011
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
1-(4-but-3-enylcyclohexyl)-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 140998010
1-[4-[(E)-2-(4-but-3-enylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 163625490
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-2-methylbenzene
CID 70950773
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 144806030

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene (CID 18341909) is 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene is C/C=C/CCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene?
The InChIKey is OSEGRSWKSZYORA-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H30/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h3-4,7-8,11-12,15-18,20,22H,5-6,9-10,13-14H2,1-2H3/b4-3+.
What are the key properties of 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene?
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene has a molecular weight of 318.50 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 18341909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).