2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene

C23H36 — CID 22157204

IUPAC2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
SMILESCCCC1CCC(C2CCC(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C23H36/c1-2-6-19-11-15-22(16-12-19)23-17-13-21(14-18-23)10-9-20-7-4-3-5-8-20/h3-5,7-8,19,21-23H,2,6,9-18H2,1H3
InChIKeyQBYMQVIDPYYCQR-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.03
Rot. Bonds6

About 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene

2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene (PubChem CID 22157204) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene.

Molecular Properties

Compound Name2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
PubChem CID22157204
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
SMILESCCCC1CCC(C2CCC(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C23H36/c1-2-6-19-11-15-22(16-12-19)23-17-13-21(14-18-23)10-9-20-7-4-3-5-8-20/h3-5,7-8,19,21-23H,2,6,9-18H2,1H3
InChIKeyQBYMQVIDPYYCQR-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
2-phenylethylcyclooctane
CID 54073487
1-(1,1,2,2,2-pentafluoroethoxy)-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 18650565
2-(2-phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylic acid
CID 53426464
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139782194
4-(4-pentylcyclohexyl)-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 57164054
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene?
The IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene (CID 22157204) is 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene.
What is the SMILES notation for 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene?
The canonical SMILES for 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene is CCCC1CCC(C2CCC(CCc3ccccc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene?
The InChIKey is QBYMQVIDPYYCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-2-6-19-11-15-22(16-12-19)23-17-13-21(14-18-23)10-9-20-7-4-3-5-8-20/h3-5,7-8,19,21-23H,2,6,9-18H2,1H3.
What are the key properties of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene?
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene has a molecular weight of 312.54 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene is sourced from PubChem (CID 22157204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).