1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene

C35H52 — CID 173404190

IUPAC1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene
SMILESCCCCC1CCC(CCc2ccc(-c3ccc(C4(C(C)CCC)CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C35H52/c1-4-6-11-29-12-14-30(15-13-29)16-17-31-18-20-32(21-19-31)33-22-24-34(25-23-33)35(28(3)10-5-2)26-8-7-9-27-35/h18-25,28-30H,4-17,26-27H2,1-3H3
InChIKeyASQFILVUWUXYMV-UHFFFAOYSA-N
MW472.80 g/mol
LogP10.92
Rot. Bonds11

About 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene

1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene (PubChem CID 173404190) has the molecular formula C35H52 and a molecular weight of 472.80 g/mol. Its IUPAC name is 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene
PubChem CID173404190
Molecular FormulaC35H52
Molecular Weight472.80 g/mol
Exact Mass472.41
IUPAC Name1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene
SMILESCCCCC1CCC(CCc2ccc(-c3ccc(C4(C(C)CCC)CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C35H52/c1-4-6-11-29-12-14-30(15-13-29)16-17-31-18-20-32(21-19-31)33-22-24-34(25-23-33)35(28(3)10-5-2)26-8-7-9-27-35/h18-25,28-30H,4-17,26-27H2,1-3H3
InChIKeyASQFILVUWUXYMV-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[3-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-4-(1-pentan-2-ylcyclohexyl)benzene
CID 70303940
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
4-[2-(4-butylcyclohexyl)ethyl]benzenethiol
CID 173376094
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778550
4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol
CID 67940783
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine;2,6-difluoro-3-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 67924052
1-[4-(4-butylphenyl)phenyl]-4-heptylcyclohexane-1-carbonitrile
CID 18643132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene (CID 173404190) is 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene is CCCCC1CCC(CCc2ccc(-c3ccc(C4(C(C)CCC)CCCCC4)cc3)cc2)CC1.
What is the InChIKey of 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene?
The InChIKey is ASQFILVUWUXYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52/c1-4-6-11-29-12-14-30(15-13-29)16-17-31-18-20-32(21-19-31)33-22-24-34(25-23-33)35(28(3)10-5-2)26-8-7-9-27-35/h18-25,28-30H,4-17,26-27H2,1-3H3.
What are the key properties of 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene?
1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene has a molecular weight of 472.80 g/mol, XLogP of 10.92, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 173404190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).