5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol

C34H46O — CID 118150631

IUPAC5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
SMILESCCCCCc1ccc(CCc2ccc(-c3ccc(CCCCCO)cc3CC)c(CC)c2)cc1
InChIInChI=1S/C34H46O/c1-4-7-9-12-27-14-16-28(17-15-27)18-19-30-21-23-34(32(6-3)26-30)33-22-20-29(25-31(33)5-2)13-10-8-11-24-35/h14-17,20-23,25-26,35H,4-13,18-19,24H2,1-3H3
InChIKeyLRUPIOFFRQOGAM-UHFFFAOYSA-N
MW470.74 g/mol
LogP8.70
Rot. Bonds15

About 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol

5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol (PubChem CID 118150631) has the molecular formula C34H46O and a molecular weight of 470.74 g/mol. Its IUPAC name is 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
PubChem CID118150631
Molecular FormulaC34H46O
Molecular Weight470.74 g/mol
Exact Mass470.35
IUPAC Name5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
SMILESCCCCCc1ccc(CCc2ccc(-c3ccc(CCCCCO)cc3CC)c(CC)c2)cc1
InChIInChI=1S/C34H46O/c1-4-7-9-12-27-14-16-28(17-15-27)18-19-30-21-23-34(32(6-3)26-30)33-22-20-29(25-31(33)5-2)13-10-8-11-24-35/h14-17,20-23,25-26,35H,4-13,18-19,24H2,1-3H3
InChIKeyLRUPIOFFRQOGAM-UHFFFAOYSA-N
XLogP8.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
CID 118150619
4-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]butan-1-ol;2-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]ethanol;[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]methanol;5-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]pentan-1-ol;3-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]propan-1-ol;4-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]butan-1-ol;2-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]ethanol;[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]methanol;5-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]pentan-1-ol;3-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 159856324
3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol
CID 118150653
5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol
CID 155425375
2-ethyl-4-heptylphenol
CID 58289223
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545
5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol
CID 118152964

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol?
The IUPAC name of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol (CID 118150631) is 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol.
What is the SMILES notation for 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol?
The canonical SMILES for 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol is CCCCCc1ccc(CCc2ccc(-c3ccc(CCCCCO)cc3CC)c(CC)c2)cc1.
What is the InChIKey of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol?
The InChIKey is LRUPIOFFRQOGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O/c1-4-7-9-12-27-14-16-28(17-15-27)18-19-30-21-23-34(32(6-3)26-30)33-22-20-29(25-31(33)5-2)13-10-8-11-24-35/h14-17,20-23,25-26,35H,4-13,18-19,24H2,1-3H3.
What are the key properties of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol?
5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol has a molecular weight of 470.74 g/mol, XLogP of 8.70, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol is sourced from PubChem (CID 118150631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).