1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene

C27H32 — CID 20538245

IUPAC1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene
SMILESCCC1CC=C(c2ccc(-c3ccc(C4=CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C27H32/c1-3-21-6-10-23(11-7-21)25-14-18-27(19-15-25)26-16-12-24(13-17-26)22-8-4-20(2)5-9-22/h8,10,12-21H,3-7,9,11H2,1-2H3
InChIKeyYPFBQKNYLSQGCS-UHFFFAOYSA-N
MW356.55 g/mol
LogP8.15
Rot. Bonds4

About 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene

1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene (PubChem CID 20538245) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene
PubChem CID20538245
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene
SMILESCCC1CC=C(c2ccc(-c3ccc(C4=CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C27H32/c1-3-21-6-10-23(11-7-21)25-14-18-27(19-15-25)26-16-12-24(13-17-26)22-8-4-20(2)5-9-22/h8,10,12-21H,3-7,9,11H2,1-2H3
InChIKeyYPFBQKNYLSQGCS-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
1-(4-methylcyclohexen-1-yl)-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538427
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
CID 20538302
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
4-(4-ethylcyclohexen-1-yl)-1-methylpyrazole
CID 172782788

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene?
The IUPAC name of 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene (CID 20538245) is 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene.
What is the SMILES notation for 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene?
The canonical SMILES for 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene is CCC1CC=C(c2ccc(-c3ccc(C4=CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene?
The InChIKey is YPFBQKNYLSQGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-3-21-6-10-23(11-7-21)25-14-18-27(19-15-25)26-16-12-24(13-17-26)22-8-4-20(2)5-9-22/h8,10,12-21H,3-7,9,11H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene?
1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene has a molecular weight of 356.55 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene is sourced from PubChem (CID 20538245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).