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

C37H50O — CID 158236993

IUPAC1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
SMILESCCc1cc(-c2ccc(CCc3ccc(C4CCC(C)CC4)cc3)cc2)ccc1OCC(CC)(CC)CC
InChIInChI=1S/C37H50O/c1-6-31-26-35(24-25-36(31)38-27-37(7-2,8-3)9-4)34-22-16-30(17-23-34)13-12-29-14-20-33(21-15-29)32-18-10-28(5)11-19-32/h14-17,20-26,28,32H,6-13,18-19,27H2,1-5H3
InChIKeyFSSGKSGRTWNVDM-UHFFFAOYSA-N
MW510.81 g/mol
LogP10.59
Rot. Bonds12

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

1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene (PubChem CID 158236993) has the molecular formula C37H50O and a molecular weight of 510.81 g/mol. Its IUPAC name is 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
PubChem CID158236993
Molecular FormulaC37H50O
Molecular Weight510.81 g/mol
Exact Mass510.39
IUPAC Name1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
SMILESCCc1cc(-c2ccc(CCc3ccc(C4CCC(C)CC4)cc3)cc2)ccc1OCC(CC)(CC)CC
InChIInChI=1S/C37H50O/c1-6-31-26-35(24-25-36(31)38-27-37(7-2,8-3)9-4)34-22-16-30(17-23-34)13-12-29-14-20-33(21-15-29)32-18-10-28(5)11-19-32/h14-17,20-26,28,32H,6-13,18-19,27H2,1-5H3
InChIKeyFSSGKSGRTWNVDM-UHFFFAOYSA-N
XLogP10.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2,2-diethylbutoxy)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160764728
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-[4-(2,2-diethylbutoxy)-2-ethylphenyl]-2-ethyl-4-(4-methylcyclohexyl)benzene
CID 159035273
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
3-[2-[2,2-bis(hydroxymethyl)butoxy]-5-[4-[4-(4-butylcyclohexyl)phenyl]-2-ethylphenyl]phenyl]propyl 2-methylprop-2-enoate
CID 163298280
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-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene
CID 161072470
1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160558183

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene?
The IUPAC name of 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene (CID 158236993) is 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene is CCc1cc(-c2ccc(CCc3ccc(C4CCC(C)CC4)cc3)cc2)ccc1OCC(CC)(CC)CC.
What is the InChIKey of 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene?
The InChIKey is FSSGKSGRTWNVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50O/c1-6-31-26-35(24-25-36(31)38-27-37(7-2,8-3)9-4)34-22-16-30(17-23-34)13-12-29-14-20-33(21-15-29)32-18-10-28(5)11-19-32/h14-17,20-26,28,32H,6-13,18-19,27H2,1-5H3.
What are the key properties of 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene?
1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene has a molecular weight of 510.81 g/mol, XLogP of 10.59, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene is sourced from PubChem (CID 158236993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).