[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene

C26H36 — CID 54333330

IUPAC[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene
SMILESCC(C)C(CCC1CCCCC1)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H36/c1-21(2)25(19-18-22-12-6-3-7-13-22)26(24-16-10-5-11-17-24)20-23-14-8-4-9-15-23/h4-5,8-11,14-17,21-22,25-26H,3,6-7,12-13,18-20H2,1-2H3
InChIKeyLLCMEDOLQTXOQF-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.65
Rot. Bonds8

About [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene

[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene (PubChem CID 54333330) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene.

Molecular Properties

Compound Name[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene
PubChem CID54333330
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene
SMILESCC(C)C(CCC1CCCCC1)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H36/c1-21(2)25(19-18-22-12-6-3-7-13-22)26(24-16-10-5-11-17-24)20-23-14-8-4-9-15-23/h4-5,8-11,14-17,21-22,25-26H,3,6-7,12-13,18-20H2,1-2H3
InChIKeyLLCMEDOLQTXOQF-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
CID 54362635
(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
CID 173352600
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
2-cyclohexylpropylbenzene
CID 15846297
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
(2S)-2-(4-cyclohexylbutan-2-ylamino)-3-phenylpropanoic acid
CID 122037642
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
2-phenylethylcyclooctane
CID 54073487
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene?
The IUPAC name of [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene (CID 54333330) is [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene.
What is the SMILES notation for [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene?
The canonical SMILES for [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene is CC(C)C(CCC1CCCCC1)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene?
The InChIKey is LLCMEDOLQTXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-21(2)25(19-18-22-12-6-3-7-13-22)26(24-16-10-5-11-17-24)20-23-14-8-4-9-15-23/h4-5,8-11,14-17,21-22,25-26H,3,6-7,12-13,18-20H2,1-2H3.
What are the key properties of [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene?
[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene has a molecular weight of 348.57 g/mol, XLogP of 7.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene is sourced from PubChem (CID 54333330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).