1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene

C31H46O — CID 159035273

IUPAC1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene
SMILESCCc1cc(OCC(CC)(CC)CC)ccc1-c1ccc(C2CCC(C)CC2)cc1CC
InChIInChI=1S/C31H46O/c1-7-24-20-27(26-14-12-23(6)13-15-26)16-18-29(24)30-19-17-28(21-25(30)8-2)32-22-31(9-3,10-4)11-5/h16-21,23,26H,7-15,22H2,1-6H3
InChIKeyAZFLHPHVZDQLCX-UHFFFAOYSA-N
MW434.71 g/mol
LogP9.37
Rot. Bonds10

About 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene

1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene (PubChem CID 159035273) has the molecular formula C31H46O and a molecular weight of 434.71 g/mol. Its IUPAC name is 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene
PubChem CID159035273
Molecular FormulaC31H46O
Molecular Weight434.71 g/mol
Exact Mass434.35
IUPAC Name1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene
SMILESCCc1cc(OCC(CC)(CC)CC)ccc1-c1ccc(C2CCC(C)CC2)cc1CC
InChIInChI=1S/C31H46O/c1-7-24-20-27(26-14-12-23(6)13-15-26)16-18-29(24)30-19-17-28(21-25(30)8-2)32-22-31(9-3,10-4)11-5/h16-21,23,26H,7-15,22H2,1-6H3
InChIKeyAZFLHPHVZDQLCX-UHFFFAOYSA-N
XLogP9.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,2-diethylbutoxy)-3-ethylphenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160805982
2-(2,2-diethylbutoxy)-1,3,4-triethyl-5-[4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 162126790
1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158236993
1,2-bis(2,2-diethylbutoxy)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160764728
1-(3,3-diethylpentoxy)-2,5-diethyl-4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 159810747
1-(3,3-diethylpentoxy)-2,5-diethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158410341
2-(2,2-diethylbutoxy)-1,3-diethyl-5-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene;2-(2,2-diethylbutoxy)-1,3,4-triethyl-5-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene;2-(2,2-diethylbutoxy)-1,3,4-triethyl-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene;2-(3,3-diethylpentoxy)-1,3-diethyl-5-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene;2-(3,3-diethylpentoxy)-1,3-diethyl-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene;2-(3,3-diethylpentoxy)-1,3,4-triethyl-5-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene;2-(3,3-diethylpentoxy)-1,3,4-triethyl-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene;methane
CID 162236888
1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160558183
2-[5-[2-ethyl-4-(4-methylcyclohexyl)phenyl]-2-[4-(3-hydroxypropyl)phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 145122647
4-cyclopropyl-2-ethylphenol
CID 22039039
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene
CID 157213987

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene (CID 159035273) is 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene is CCc1cc(OCC(CC)(CC)CC)ccc1-c1ccc(C2CCC(C)CC2)cc1CC.
What is the InChIKey of 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene?
The InChIKey is AZFLHPHVZDQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46O/c1-7-24-20-27(26-14-12-23(6)13-15-26)16-18-29(24)30-19-17-28(21-25(30)8-2)32-22-31(9-3,10-4)11-5/h16-21,23,26H,7-15,22H2,1-6H3.
What are the key properties of 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene?
1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene has a molecular weight of 434.71 g/mol, XLogP of 9.37, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 159035273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).