1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene

C24H28 — CID 142529113

IUPAC1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene
SMILESCC/C=C(\C)C1=C(c2ccc(-c3ccc(C)cc3)cc2)CCCC1
InChIInChI=1S/C24H28/c1-4-7-19(3)23-8-5-6-9-24(23)22-16-14-21(15-17-22)20-12-10-18(2)11-13-20/h7,10-17H,4-6,8-9H2,1-3H3/b19-7+
InChIKeyRYLZEYOSLCUROC-FBCYGCLPSA-N
MW316.49 g/mol
LogP7.35
Rot. Bonds4

About 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene

1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene (PubChem CID 142529113) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene
PubChem CID142529113
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene
SMILESCC/C=C(\C)C1=C(c2ccc(-c3ccc(C)cc3)cc2)CCCC1
InChIInChI=1S/C24H28/c1-4-7-19(3)23-8-5-6-9-24(23)22-16-14-21(15-17-22)20-12-10-18(2)11-13-20/h7,10-17H,4-6,8-9H2,1-3H3/b19-7+
InChIKeyRYLZEYOSLCUROC-FBCYGCLPSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
CID 162400870
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
lithium 2-(4-methylphenyl)cyclohexen-1-olate
CID 102355144
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
CID 123650314
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
CID 102094486
[2-(1-cyclopentylideneprop-1-en-2-yl)cyclohexen-1-yl]benzene
CID 102158684
1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene
CID 170701365
ethyl 5-(4-methylphenyl)-2,3,6,7-tetrahydrooxepine-4-carboxylate
CID 139466694
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene (CID 142529113) is 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene is CC/C=C(\C)C1=C(c2ccc(-c3ccc(C)cc3)cc2)CCCC1.
What is the InChIKey of 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene?
The InChIKey is RYLZEYOSLCUROC-FBCYGCLPSA-N. The full InChI is InChI=1S/C24H28/c1-4-7-19(3)23-8-5-6-9-24(23)22-16-14-21(15-17-22)20-12-10-18(2)11-13-20/h7,10-17H,4-6,8-9H2,1-3H3/b19-7+.
What are the key properties of 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene?
1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene has a molecular weight of 316.49 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene is sourced from PubChem (CID 142529113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).