1-(4-butylcyclohexyl)-4-phenylbenzene

C22H28 — CID 20638990

IUPAC1-(4-butylcyclohexyl)-4-phenylbenzene
SMILESCCCCC1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H28/c1-2-3-7-18-10-12-20(13-11-18)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-18,20H,2-3,7,10-13H2,1H3
InChIKeyGNOASZZLPQGQQA-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.82
Rot. Bonds5

About 1-(4-butylcyclohexyl)-4-phenylbenzene

1-(4-butylcyclohexyl)-4-phenylbenzene (PubChem CID 20638990) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-phenylbenzene
PubChem CID20638990
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-(4-butylcyclohexyl)-4-phenylbenzene
SMILESCCCCC1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H28/c1-2-3-7-18-10-12-20(13-11-18)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-18,20H,2-3,7,10-13H2,1H3
InChIKeyGNOASZZLPQGQQA-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-[2-(4-butylcyclohexyl)ethyl]-2-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 142630350
(4-propylcyclohexyl)benzene
CID 155887669

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-phenylbenzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-phenylbenzene (CID 20638990) is 1-(4-butylcyclohexyl)-4-phenylbenzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-phenylbenzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-phenylbenzene is CCCCC1CCC(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-phenylbenzene?
The InChIKey is GNOASZZLPQGQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-2-3-7-18-10-12-20(13-11-18)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-18,20H,2-3,7,10-13H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-phenylbenzene?
1-(4-butylcyclohexyl)-4-phenylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-phenylbenzene is sourced from PubChem (CID 20638990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).