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

C38H52O — CID 157213987

IUPAC1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene
SMILESCCc1cc(-c2cc(CC)c(OCCC(CC)CC)c(CC)c2)ccc1-c1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C38H52O/c1-7-28(8-2)22-23-39-38-30(10-4)25-36(26-31(38)11-5)35-20-21-37(29(9-3)24-35)34-18-16-33(17-19-34)32-14-12-27(6)13-15-32/h16-21,24-28,32H,7-15,22-23H2,1-6H3
InChIKeyBIRDHGXWCHNDBC-UHFFFAOYSA-N
MW524.83 g/mol
LogP11.21
Rot. Bonds12

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

1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene (PubChem CID 157213987) has the molecular formula C38H52O and a molecular weight of 524.83 g/mol. Its IUPAC name is 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene.

Molecular Properties

Compound Name1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene
PubChem CID157213987
Molecular FormulaC38H52O
Molecular Weight524.83 g/mol
Exact Mass524.40
IUPAC Name1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene
SMILESCCc1cc(-c2cc(CC)c(OCCC(CC)CC)c(CC)c2)ccc1-c1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C38H52O/c1-7-28(8-2)22-23-39-38-30(10-4)25-36(26-31(38)11-5)35-20-21-37(29(9-3)24-35)34-18-16-33(17-19-34)32-14-12-27(6)13-15-32/h16-21,24-28,32H,7-15,22-23H2,1-6H3
InChIKeyBIRDHGXWCHNDBC-UHFFFAOYSA-N
XLogP11.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diethyl-2-(2-ethylbutoxy)-5-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenyl]benzene
CID 161072470
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
1,3,4-triethyl-2-(2-ethyl-2-methylbutoxy)-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 160558183
1-(3,3-diethylpentoxy)-2,5-diethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158410341
1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158236993
4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 139457537
2-[5-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-2-[4-hydroxy-3-(hydroxymethyl)butoxy]phenyl]ethyl 2-methylprop-2-enoate
CID 138735535
3-[2-[3,5-dihydroxy-4-(hydroxymethyl)pentoxy]-5-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3-(3-hydroxypropyl)phenyl]propyl 2-methylprop-2-enoate
CID 155300260
2-chloro-1-[4-[(2R)-2-methylbutoxy]phenyl]-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144549629
[2-(2-ethylbutoxy)-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-4-methyl-3-(phosphanylmethyl)phenyl]methylphosphane
CID 170125080
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

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene?
The IUPAC name of 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene (CID 157213987) is 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene.
What is the SMILES notation for 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene?
The canonical SMILES for 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene is CCc1cc(-c2cc(CC)c(OCCC(CC)CC)c(CC)c2)ccc1-c1ccc(C2CCC(C)CC2)cc1.
What is the InChIKey of 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene?
The InChIKey is BIRDHGXWCHNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52O/c1-7-28(8-2)22-23-39-38-30(10-4)25-36(26-31(38)11-5)35-20-21-37(29(9-3)24-35)34-18-16-33(17-19-34)32-14-12-27(6)13-15-32/h16-21,24-28,32H,7-15,22-23H2,1-6H3.
What are the key properties of 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene?
1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene has a molecular weight of 524.83 g/mol, XLogP of 11.21, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[3-ethyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(3-ethylpentoxy)benzene is sourced from PubChem (CID 157213987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).