1-(4-ethylcyclohexyl)ethylbenzene

C16H24 — CID 154060527

IUPAC1-(4-ethylcyclohexyl)ethylbenzene
SMILESCCC1CCC(C(C)c2ccccc2)CC1
InChIInChI=1S/C16H24/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeyOPIPHCDOUARDTL-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.01
Rot. Bonds3

About 1-(4-ethylcyclohexyl)ethylbenzene

1-(4-ethylcyclohexyl)ethylbenzene (PubChem CID 154060527) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)ethylbenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)ethylbenzene
PubChem CID154060527
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-(4-ethylcyclohexyl)ethylbenzene
SMILESCCC1CCC(C(C)c2ccccc2)CC1
InChIInChI=1S/C16H24/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeyOPIPHCDOUARDTL-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

difluoromethylbenzene;ethylcyclopropane
CID 157034020
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine
CID 19765443
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
ethanol;3-(1-phenylethyl)azetidine
CID 19888360
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine
CID 64775859
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)ethylbenzene?
The IUPAC name of 1-(4-ethylcyclohexyl)ethylbenzene (CID 154060527) is 1-(4-ethylcyclohexyl)ethylbenzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)ethylbenzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)ethylbenzene is CCC1CCC(C(C)c2ccccc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)ethylbenzene?
The InChIKey is OPIPHCDOUARDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)ethylbenzene?
1-(4-ethylcyclohexyl)ethylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)ethylbenzene is sourced from PubChem (CID 154060527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).