3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol

C33H36O — CID 139457480

IUPAC3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(O)cc4CC)cc3)c(CC)c2)cc1
InChIInChI=1S/C33H36O/c1-4-7-8-9-24-10-12-27(13-11-24)30-18-20-32(25(5-2)22-30)28-14-16-29(17-15-28)33-21-19-31(34)23-26(33)6-3/h10-23,34H,4-9H2,1-3H3
InChIKeyVWVKOIHZWMINSR-UHFFFAOYSA-N
MW448.65 g/mol
LogP9.25
Rot. Bonds9

About 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol

3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol (PubChem CID 139457480) has the molecular formula C33H36O and a molecular weight of 448.65 g/mol. Its IUPAC name is 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
PubChem CID139457480
Molecular FormulaC33H36O
Molecular Weight448.65 g/mol
Exact Mass448.28
IUPAC Name3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(O)cc4CC)cc3)c(CC)c2)cc1
InChIInChI=1S/C33H36O/c1-4-7-8-9-24-10-12-27(13-11-24)30-18-20-32(25(5-2)22-30)28-14-16-29(17-15-28)33-21-19-31(34)23-26(33)6-3/h10-23,34H,4-9H2,1-3H3
InChIKeyVWVKOIHZWMINSR-UHFFFAOYSA-N
XLogP9.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 59.25
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

2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-[4-(hydroxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 134193871
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
1-[4-[4-ethoxy-3-(1-ethoxyethenyl)pent-4-enyl]phenyl]-2-ethyl-4-(4-pentylphenyl)benzene
CID 90245042
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
4-[4-hydroxy-2-(4-octylphenyl)phenyl]benzoic acid
CID 67864428
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
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
[5-[4-(hydroxymethyl)phenyl]-2-(4-pentylphenyl)phenyl]methyl prop-2-enoate
CID 134193698

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol?
The IUPAC name of 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol (CID 139457480) is 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol.
What is the SMILES notation for 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol?
The canonical SMILES for 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol is CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(O)cc4CC)cc3)c(CC)c2)cc1.
What is the InChIKey of 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol?
The InChIKey is VWVKOIHZWMINSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O/c1-4-7-8-9-24-10-12-27(13-11-24)30-18-20-32(25(5-2)22-30)28-14-16-29(17-15-28)33-21-19-31(34)23-26(33)6-3/h10-23,34H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol?
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol has a molecular weight of 448.65 g/mol, XLogP of 9.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol is sourced from PubChem (CID 139457480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).