1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene

C30H42 — CID 20724010

IUPAC1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
SMILESc1ccc(CCc2ccc(CCC3CCC(CCC4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C30H42/c1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26/h1,3-4,7-8,15-16,19-20,26,28,30H,2,5-6,9-14,17-18,21-24H2
InChIKeyHAXSJEOFCNBMIG-UHFFFAOYSA-N
MW402.67 g/mol
LogP8.57
Rot. Bonds9

About 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene

1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene (PubChem CID 20724010) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
PubChem CID20724010
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
SMILESc1ccc(CCc2ccc(CCC3CCC(CCC4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C30H42/c1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26/h1,3-4,7-8,15-16,19-20,26,28,30H,2,5-6,9-14,17-18,21-24H2
InChIKeyHAXSJEOFCNBMIG-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-phenylethylcyclooctane
CID 54073487
2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
CID 20724099
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
2-cyclopentyl-N-(2-phenylethyl)ethanamine
CID 54856926
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
4-(2-phenylethyl)-1-sulfanylazepane
CID 123467007
4-cyclopropylbutylbenzene
CID 10261592
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene?
The IUPAC name of 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene (CID 20724010) is 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene.
What is the SMILES notation for 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene?
The canonical SMILES for 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene is c1ccc(CCc2ccc(CCC3CCC(CCC4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene?
The InChIKey is HAXSJEOFCNBMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42/c1-3-7-25(8-4-1)11-13-27-15-19-29(20-16-27)23-24-30-21-17-28(18-22-30)14-12-26-9-5-2-6-10-26/h1,3-4,7-8,15-16,19-20,26,28,30H,2,5-6,9-14,17-18,21-24H2.
What are the key properties of 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene?
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene has a molecular weight of 402.67 g/mol, XLogP of 8.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene is sourced from PubChem (CID 20724010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).