5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol

C26H38O2 — CID 155425375

IUPAC5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol
SMILESCCCCCCCCCc1ccc(-c2cc(CCCO)c(O)cc2CC)cc1
InChIInChI=1S/C26H38O2/c1-3-5-6-7-8-9-10-12-21-14-16-23(17-15-21)25-19-24(13-11-18-27)26(28)20-22(25)4-2/h14-17,19-20,27-28H,3-13,18H2,1-2H3
InChIKeyVOZKPCFVPKSERP-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.84
Rot. Bonds13

About 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol

5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol (PubChem CID 155425375) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol.

Molecular Properties

Compound Name5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol
PubChem CID155425375
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol
SMILESCCCCCCCCCc1ccc(-c2cc(CCCO)c(O)cc2CC)cc1
InChIInChI=1S/C26H38O2/c1-3-5-6-7-8-9-10-12-21-14-16-23(17-15-21)25-19-24(13-11-18-27)26(28)20-22(25)4-2/h14-17,19-20,27-28H,3-13,18H2,1-2H3
InChIKeyVOZKPCFVPKSERP-UHFFFAOYSA-N
XLogP6.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
2-ethyl-5-nonylphenol
CID 54394722
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
CID 54446748
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-4-heptylphenol
CID 58289223
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol?
The IUPAC name of 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol (CID 155425375) is 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol.
What is the SMILES notation for 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol?
The canonical SMILES for 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol is CCCCCCCCCc1ccc(-c2cc(CCCO)c(O)cc2CC)cc1.
What is the InChIKey of 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol?
The InChIKey is VOZKPCFVPKSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-3-5-6-7-8-9-10-12-21-14-16-23(17-15-21)25-19-24(13-11-18-27)26(28)20-22(25)4-2/h14-17,19-20,27-28H,3-13,18H2,1-2H3.
What are the key properties of 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol?
5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol has a molecular weight of 382.59 g/mol, XLogP of 6.84, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-hydroxypropyl)-4-(4-nonylphenyl)phenol is sourced from PubChem (CID 155425375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).