3-ethyl-4-nonyl-2,6-diphenylphenol

C29H36O — CID 174697041

IUPAC3-ethyl-4-nonyl-2,6-diphenylphenol
SMILESCCCCCCCCCc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1CC
InChIInChI=1S/C29H36O/c1-3-5-6-7-8-9-12-21-25-22-27(23-17-13-10-14-18-23)29(30)28(26(25)4-2)24-19-15-11-16-20-24/h10-11,13-20,22,30H,3-9,12,21H2,1-2H3
InChIKeyJMPBILNYFJQSRD-UHFFFAOYSA-N
MW400.61 g/mol
LogP8.58
Rot. Bonds11

About 3-ethyl-4-nonyl-2,6-diphenylphenol

3-ethyl-4-nonyl-2,6-diphenylphenol (PubChem CID 174697041) has the molecular formula C29H36O and a molecular weight of 400.61 g/mol. Its IUPAC name is 3-ethyl-4-nonyl-2,6-diphenylphenol.

Molecular Properties

Compound Name3-ethyl-4-nonyl-2,6-diphenylphenol
PubChem CID174697041
Molecular FormulaC29H36O
Molecular Weight400.61 g/mol
Exact Mass400.28
IUPAC Name3-ethyl-4-nonyl-2,6-diphenylphenol
SMILESCCCCCCCCCc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1CC
InChIInChI=1S/C29H36O/c1-3-5-6-7-8-9-12-21-25-22-27(23-17-13-10-14-18-23)29(30)28(26(25)4-2)24-19-15-11-16-20-24/h10-11,13-20,22,30H,3-9,12,21H2,1-2H3
InChIKeyJMPBILNYFJQSRD-UHFFFAOYSA-N
XLogP8.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 58.58
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-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
1-hexyl-2,3-diphenylbenzene
CID 54065322
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
3,4-difluoro-1-octyl-5-(4-phenylphenyl)-2-propylbenzene
CID 19107988
6-nonyl-3,4-diphenylphthalaldehyde
CID 87274441
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol
CID 140982124

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-nonyl-2,6-diphenylphenol?
The IUPAC name of 3-ethyl-4-nonyl-2,6-diphenylphenol (CID 174697041) is 3-ethyl-4-nonyl-2,6-diphenylphenol.
What is the SMILES notation for 3-ethyl-4-nonyl-2,6-diphenylphenol?
The canonical SMILES for 3-ethyl-4-nonyl-2,6-diphenylphenol is CCCCCCCCCc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1CC.
What is the InChIKey of 3-ethyl-4-nonyl-2,6-diphenylphenol?
The InChIKey is JMPBILNYFJQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O/c1-3-5-6-7-8-9-12-21-25-22-27(23-17-13-10-14-18-23)29(30)28(26(25)4-2)24-19-15-11-16-20-24/h10-11,13-20,22,30H,3-9,12,21H2,1-2H3.
What are the key properties of 3-ethyl-4-nonyl-2,6-diphenylphenol?
3-ethyl-4-nonyl-2,6-diphenylphenol has a molecular weight of 400.61 g/mol, XLogP of 8.58, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-nonyl-2,6-diphenylphenol is sourced from PubChem (CID 174697041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).