1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene

C23H28 — CID 142035301

IUPAC1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene
SMILESC=C(c1ccc(CC2CCC(C)CC2)cc1)c1cccc(C)c1
InChIInChI=1S/C23H28/c1-17-7-9-20(10-8-17)16-21-11-13-22(14-12-21)19(3)23-6-4-5-18(2)15-23/h4-6,11-15,17,20H,3,7-10,16H2,1-2H3
InChIKeyUSXOZUTWNSMPMQ-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.43
Rot. Bonds4

About 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene

1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene (PubChem CID 142035301) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene
PubChem CID142035301
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene
SMILESC=C(c1ccc(CC2CCC(C)CC2)cc1)c1cccc(C)c1
InChIInChI=1S/C23H28/c1-17-7-9-20(10-8-17)16-21-11-13-22(14-12-21)19(3)23-6-4-5-18(2)15-23/h4-6,11-15,17,20H,3,7-10,16H2,1-2H3
InChIKeyUSXOZUTWNSMPMQ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]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-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine
CID 143553842
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
ethane;methylcyclopropane;1,3-xylene
CID 142338532
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
CID 59265507
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
1-[3-methyl-N-[(4-methylcyclohexyl)methyl]anilino]but-1-en-1-ol
CID 142104202

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene (CID 142035301) is 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene is C=C(c1ccc(CC2CCC(C)CC2)cc1)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene?
The InChIKey is USXOZUTWNSMPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-17-7-9-20(10-8-17)16-21-11-13-22(14-12-21)19(3)23-6-4-5-18(2)15-23/h4-6,11-15,17,20H,3,7-10,16H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene?
1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene has a molecular weight of 304.48 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 142035301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).