1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene

C37H56O — CID 161072470

IUPAC1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene
SMILESCCc1cc(-c2ccc(C3CCC(CCC4CCC(C)CC4)CC3)cc2)cc(CC)c1OCC(CC)CC
InChIInChI=1S/C37H56O/c1-6-28(7-2)26-38-37-31(8-3)24-36(25-32(37)9-4)35-22-20-34(21-23-35)33-18-16-30(17-19-33)15-14-29-12-10-27(5)11-13-29/h20-25,27-30,33H,6-19,26H2,1-5H3
InChIKeyWYGGYTJIQLCZLB-UHFFFAOYSA-N
MW516.85 g/mol
LogP11.17
Rot. Bonds12

About 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene

1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene (PubChem CID 161072470) has the molecular formula C37H56O and a molecular weight of 516.85 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene
PubChem CID161072470
Molecular FormulaC37H56O
Molecular Weight516.85 g/mol
Exact Mass516.43
IUPAC Name1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene
SMILESCCc1cc(-c2ccc(C3CCC(CCC4CCC(C)CC4)CC3)cc2)cc(CC)c1OCC(CC)CC
InChIInChI=1S/C37H56O/c1-6-28(7-2)26-38-37-31(8-3)24-36(25-32(37)9-4)35-22-20-34(21-23-35)33-18-16-30(17-19-33)15-14-29-12-10-27(5)11-13-29/h20-25,27-30,33H,6-19,26H2,1-5H3
InChIKeyWYGGYTJIQLCZLB-UHFFFAOYSA-N
XLogP11.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.85
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene with MolForge

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Related Compounds

1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene
CID 157213987
1,3,4-triethyl-2-(2-ethylbutoxy)-5-[2-ethyl-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 158612273
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
[2-(2-ethylbutoxy)-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-4-methyl-3-(phosphanylmethyl)phenyl]methylphosphane
CID 170125080
1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158236993
1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160558183
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539326
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene (CID 161072470) is 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene is CCc1cc(-c2ccc(C3CCC(CCC4CCC(C)CC4)CC3)cc2)cc(CC)c1OCC(CC)CC.
What is the InChIKey of 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene?
The InChIKey is WYGGYTJIQLCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O/c1-6-28(7-2)26-38-37-31(8-3)24-36(25-32(37)9-4)35-22-20-34(21-23-35)33-18-16-30(17-19-33)15-14-29-12-10-27(5)11-13-29/h20-25,27-30,33H,6-19,26H2,1-5H3.
What are the key properties of 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene?
1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene has a molecular weight of 516.85 g/mol, XLogP of 11.17, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 161072470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).