(4-propylcyclohexyl)benzene

C30H44 — CID 155887669

IUPAC(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccccc2)CC1.CCCC1CCC(c2ccccc2)CC1
InChIInChI=1S/2C15H22/c2*1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h2*3-5,7-8,13,15H,2,6,9-12H2,1H3
InChIKeyQOPGKIFKENMUCO-UHFFFAOYSA-N
MW404.68 g/mol
LogP9.52
Rot. Bonds6

About (4-propylcyclohexyl)benzene

(4-propylcyclohexyl)benzene (PubChem CID 155887669) has the molecular formula C30H44 and a molecular weight of 404.68 g/mol. Its IUPAC name is (4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name(4-propylcyclohexyl)benzene
PubChem CID155887669
Molecular FormulaC30H44
Molecular Weight404.68 g/mol
Exact Mass404.34
IUPAC Name(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccccc2)CC1.CCCC1CCC(c2ccccc2)CC1
InChIInChI=1S/2C15H22/c2*1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h2*3-5,7-8,13,15H,2,6,9-12H2,1H3
InChIKeyQOPGKIFKENMUCO-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
ethane;[4-(3-methylbutyl)cyclohexyl]benzene
CID 163392259
carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 90949618
benzene;cyclopropylbenzene
CID 144638417
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)benzene?
The IUPAC name of (4-propylcyclohexyl)benzene (CID 155887669) is (4-propylcyclohexyl)benzene.
What is the SMILES notation for (4-propylcyclohexyl)benzene?
The canonical SMILES for (4-propylcyclohexyl)benzene is CCCC1CCC(c2ccccc2)CC1.CCCC1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-propylcyclohexyl)benzene?
The InChIKey is QOPGKIFKENMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22/c2*1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h2*3-5,7-8,13,15H,2,6,9-12H2,1H3.
What are the key properties of (4-propylcyclohexyl)benzene?
(4-propylcyclohexyl)benzene has a molecular weight of 404.68 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)benzene is sourced from PubChem (CID 155887669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).