1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene

C24H32 — CID 23566418

IUPAC1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
SMILESCC(CC(C)(C)C)c1ccc(-c2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C24H32/c1-18(17-24(2,3)4)19-9-11-22(12-10-19)23-15-13-21(14-16-23)20-7-5-6-8-20/h9-16,18,20H,5-8,17H2,1-4H3
InChIKeyFTVGCWUTEJAEBQ-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.55
Rot. Bonds4

About 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene

1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene (PubChem CID 23566418) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
PubChem CID23566418
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
SMILESCC(CC(C)(C)C)c1ccc(-c2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C24H32/c1-18(17-24(2,3)4)19-9-11-22(12-10-19)23-15-13-21(14-16-23)20-7-5-6-8-20/h9-16,18,20H,5-8,17H2,1-4H3
InChIKeyFTVGCWUTEJAEBQ-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
[(2R)-4,4-dimethylpentan-2-yl]benzene;bis(1-[(2R)-4,4-dimethylpentan-2-yl]-4-methylbenzene);2,2-dimethylpropylcyclopropane
CID 158923341
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 3066892

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene?
The IUPAC name of 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene (CID 23566418) is 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene.
What is the SMILES notation for 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene?
The canonical SMILES for 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene is CC(CC(C)(C)C)c1ccc(-c2ccc(C3CCCC3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene?
The InChIKey is FTVGCWUTEJAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-18(17-24(2,3)4)19-9-11-22(12-10-19)23-15-13-21(14-16-23)20-7-5-6-8-20/h9-16,18,20H,5-8,17H2,1-4H3.
What are the key properties of 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene?
1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene has a molecular weight of 320.52 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene is sourced from PubChem (CID 23566418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).