2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol

C29H36O — CID 118150619

IUPAC2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
SMILESCCCc1ccc(CCc2ccc(-c3ccc(CCO)cc3CC)c(CC)c2)cc1
InChIInChI=1S/C29H36O/c1-4-7-22-8-10-23(11-9-22)12-13-24-14-16-28(26(5-2)20-24)29-17-15-25(18-19-30)21-27(29)6-3/h8-11,14-17,20-21,30H,4-7,12-13,18-19H2,1-3H3
InChIKeyZAXGWEMISJFDAV-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.75
Rot. Bonds10

About 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol

2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol (PubChem CID 118150619) has the molecular formula C29H36O and a molecular weight of 400.61 g/mol. Its IUPAC name is 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
PubChem CID118150619
Molecular FormulaC29H36O
Molecular Weight400.61 g/mol
Exact Mass400.28
IUPAC Name2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
SMILESCCCc1ccc(CCc2ccc(-c3ccc(CCO)cc3CC)c(CC)c2)cc1
InChIInChI=1S/C29H36O/c1-4-7-22-8-10-23(11-9-22)12-13-24-14-16-28(26(5-2)20-24)29-17-15-25(18-19-30)21-27(29)6-3/h8-11,14-17,20-21,30H,4-7,12-13,18-19H2,1-3H3
InChIKeyZAXGWEMISJFDAV-UHFFFAOYSA-N
XLogP6.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]butan-1-ol;2-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]ethanol;[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]methanol;5-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]pentan-1-ol;3-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol;4-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]butan-1-ol;2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol;[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]methanol;5-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]pentan-1-ol;3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]propan-1-ol
CID 161060836
5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631
[3-ethyl-4-(4-propylphenyl)phenyl]methanol
CID 90163510
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol
CID 90245279
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
1,2-diethyl-4-propylbenzene
CID 54363919
1-[4-[2-[4-[2-ethyl-4-(2-hydroxyethyl)phenyl]-3-fluorophenyl]ethyl]phenoxy]-2-methylprop-2-en-1-ol
CID 146207400
3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol
CID 118150653
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
2-ethyl-5-propylphenol
CID 522454
2-(3-chloro-4-propylphenyl)ethanol
CID 105425048

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol?
The IUPAC name of 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol (CID 118150619) is 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol.
What is the SMILES notation for 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol?
The canonical SMILES for 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol is CCCc1ccc(CCc2ccc(-c3ccc(CCO)cc3CC)c(CC)c2)cc1.
What is the InChIKey of 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol?
The InChIKey is ZAXGWEMISJFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O/c1-4-7-22-8-10-23(11-9-22)12-13-24-14-16-28(26(5-2)20-24)29-17-15-25(18-19-30)21-27(29)6-3/h8-11,14-17,20-21,30H,4-7,12-13,18-19H2,1-3H3.
What are the key properties of 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol?
2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol has a molecular weight of 400.61 g/mol, XLogP of 6.75, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 118150619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).