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

C33H44O — CID 118152964

IUPAC5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol
SMILESCCCCC(CC)Cc1ccc(-c2ccc(-c3ccc(CCCCCO)cc3)c(CC)c2)cc1
InChIInChI=1S/C33H44O/c1-4-7-11-26(5-2)24-28-15-17-30(18-16-28)32-21-22-33(29(6-3)25-32)31-19-13-27(14-20-31)12-9-8-10-23-34/h13-22,25-26,34H,4-12,23-24H2,1-3H3
InChIKeyHYAQSDXXOUYEHU-UHFFFAOYSA-N
MW456.71 g/mol
LogP9.05
Rot. Bonds14

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

5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol (PubChem CID 118152964) has the molecular formula C33H44O and a molecular weight of 456.71 g/mol. Its IUPAC name is 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol
PubChem CID118152964
Molecular FormulaC33H44O
Molecular Weight456.71 g/mol
Exact Mass456.34
IUPAC Name5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol
SMILESCCCCC(CC)Cc1ccc(-c2ccc(-c3ccc(CCCCCO)cc3)c(CC)c2)cc1
InChIInChI=1S/C33H44O/c1-4-7-11-26(5-2)24-28-15-17-30(18-16-28)32-21-22-33(29(6-3)25-32)31-19-13-27(14-20-31)12-9-8-10-23-34/h13-22,25-26,34H,4-12,23-24H2,1-3H3
InChIKeyHYAQSDXXOUYEHU-UHFFFAOYSA-N
XLogP9.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 59.05
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
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
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-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1,3,6,8-tetrakis[4-[4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pyrene
CID 102054332
1-[4-[4-ethoxy-3-(1-ethoxyethenyl)pent-4-enyl]phenyl]-2-ethyl-4-(4-pentylphenyl)benzene
CID 90245042
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol
CID 155425375
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol?
The IUPAC name of 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol (CID 118152964) is 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol.
What is the SMILES notation for 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol?
The canonical SMILES for 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol is CCCCC(CC)Cc1ccc(-c2ccc(-c3ccc(CCCCCO)cc3)c(CC)c2)cc1.
What is the InChIKey of 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol?
The InChIKey is HYAQSDXXOUYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O/c1-4-7-11-26(5-2)24-28-15-17-30(18-16-28)32-21-22-33(29(6-3)25-32)31-19-13-27(14-20-31)12-9-8-10-23-34/h13-22,25-26,34H,4-12,23-24H2,1-3H3.
What are the key properties of 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol?
5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol has a molecular weight of 456.71 g/mol, XLogP of 9.05, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol is sourced from PubChem (CID 118152964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).