1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene

C24H30 — CID 59944841

IUPAC1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene
SMILESCc1ccc(C=Cc2ccc(C3CCC(C)CC3)cc2)c(C)c1C
InChIInChI=1S/C24H30/c1-17-5-11-23(12-6-17)24-15-9-21(10-16-24)8-14-22-13-7-18(2)19(3)20(22)4/h7-10,13-17,23H,5-6,11-12H2,1-4H3
InChIKeyFFAYNIVTEWQBML-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.08
Rot. Bonds3

About 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene

1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene (PubChem CID 59944841) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene
PubChem CID59944841
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene
SMILESCc1ccc(C=Cc2ccc(C3CCC(C)CC3)cc2)c(C)c1C
InChIInChI=1S/C24H30/c1-17-5-11-23(12-6-17)24-15-9-21(10-16-24)8-14-22-13-7-18(2)19(3)20(22)4/h7-10,13-17,23H,5-6,11-12H2,1-4H3
InChIKeyFFAYNIVTEWQBML-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88998938
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
2-methyl-5-(4-methylcyclohexyl)aniline
CID 22895075
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
CID 158430591
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
CID 143115116
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene (CID 59944841) is 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene is Cc1ccc(C=Cc2ccc(C3CCC(C)CC3)cc2)c(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene?
The InChIKey is FFAYNIVTEWQBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-17-5-11-23(12-6-17)24-15-9-21(10-16-24)8-14-22-13-7-18(2)19(3)20(22)4/h7-10,13-17,23H,5-6,11-12H2,1-4H3.
What are the key properties of 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene?
1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene has a molecular weight of 318.50 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 59944841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).