1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene

C32H48O — CID 160558183

IUPAC1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCCc1cc(-c2ccc(C3CCC(C)CC3)cc2)c(CC)c(CC)c1OCC(C)(CC)CC
InChIInChI=1S/C32H48O/c1-8-24-21-30(27-19-17-26(18-20-27)25-15-13-23(6)14-16-25)28(9-2)29(10-3)31(24)33-22-32(7,11-4)12-5/h17-21,23,25H,8-16,22H2,1-7H3
InChIKeyXDLPXYBQJLJANJ-UHFFFAOYSA-N
MW448.74 g/mol
LogP9.54
Rot. Bonds10

About 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene

1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 160558183) has the molecular formula C32H48O and a molecular weight of 448.74 g/mol. Its IUPAC name is 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID160558183
Molecular FormulaC32H48O
Molecular Weight448.74 g/mol
Exact Mass448.37
IUPAC Name1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCCc1cc(-c2ccc(C3CCC(C)CC3)cc2)c(CC)c(CC)c1OCC(C)(CC)CC
InChIInChI=1S/C32H48O/c1-8-24-21-30(27-19-17-26(18-20-27)25-15-13-23(6)14-16-25)28(9-2)29(10-3)31(24)33-22-32(7,11-4)12-5/h17-21,23,25H,8-16,22H2,1-7H3
InChIKeyXDLPXYBQJLJANJ-UHFFFAOYSA-N
XLogP9.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-diethylbutoxy)-1,3,4-triethyl-5-[4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 162126790
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-ethylbutoxy)-5-[2-ethyl-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 158612273
1-[4-(2,2-diethylbutoxy)-3-ethylphenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160805982
1-(3,3-diethylpentoxy)-2,5-diethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158410341
1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene
CID 157213987
1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158236993
1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene
CID 161072470
1,2-bis(2,2-diethylbutoxy)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160764728
1-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene
CID 159035273
3-O-[2-[[3-ethyl-4-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-2,6-bis[3-(2-methylprop-2-enoyloxy)propyl]phenoxy]methyl]-2-[(3-methoxy-3-oxopropanoyl)oxymethyl]butyl] 1-O-methyl propanedioate
CID 155156969
1-ethoxy-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-3-(trifluoromethyl)benzene
CID 143115064

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene (CID 160558183) is 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene is CCc1cc(-c2ccc(C3CCC(C)CC3)cc2)c(CC)c(CC)c1OCC(C)(CC)CC.
What is the InChIKey of 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is XDLPXYBQJLJANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O/c1-8-24-21-30(27-19-17-26(18-20-27)25-15-13-23(6)14-16-25)28(9-2)29(10-3)31(24)33-22-32(7,11-4)12-5/h17-21,23,25H,8-16,22H2,1-7H3.
What are the key properties of 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene?
1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 448.74 g/mol, XLogP of 9.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 160558183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).