2,6-bis(2-methylpropyl)-4-nonylphenol

C23H40O — CID 126622784

IUPAC2,6-bis(2-methylpropyl)-4-nonylphenol
SMILESCCCCCCCCCc1cc(CC(C)C)c(O)c(CC(C)C)c1
InChIInChI=1S/C23H40O/c1-6-7-8-9-10-11-12-13-20-16-21(14-18(2)3)23(24)22(17-20)15-19(4)5/h16-19,24H,6-15H2,1-5H3
InChIKeyZXZIMYMEAYDDNF-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.08
Rot. Bonds12

About 2,6-bis(2-methylpropyl)-4-nonylphenol

2,6-bis(2-methylpropyl)-4-nonylphenol (PubChem CID 126622784) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 2,6-bis(2-methylpropyl)-4-nonylphenol.

Molecular Properties

Compound Name2,6-bis(2-methylpropyl)-4-nonylphenol
PubChem CID126622784
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name2,6-bis(2-methylpropyl)-4-nonylphenol
SMILESCCCCCCCCCc1cc(CC(C)C)c(O)c(CC(C)C)c1
InChIInChI=1S/C23H40O/c1-6-7-8-9-10-11-12-13-20-16-21(14-18(2)3)23(24)22(17-20)15-19(4)5/h16-19,24H,6-15H2,1-5H3
InChIKeyZXZIMYMEAYDDNF-UHFFFAOYSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.08
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

2,4,6-triheptylphenol
CID 139692303
4-butyl-2,6-didodecylphenol
CID 66619638
2,6-diethyl-4-pentylphenol
CID 66879488
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-[[bis(2-methylpropyl)amino]methyl]-4,6-di(nonyl)phenol
CID 23346787
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-[[4-hydroxy-3,5-bis(2-methylpropyl)phenyl]methyl]octadecanoic acid
CID 118513721
2-[[2-hydroxy-3-(hydroxymethyl)-5-nonylphenyl]methyl]-6-(hydroxymethyl)-4-nonylphenol
CID 118909015
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299
2,6-dimethyl-4-octadecylphenol
CID 66619575

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylpropyl)-4-nonylphenol?
The IUPAC name of 2,6-bis(2-methylpropyl)-4-nonylphenol (CID 126622784) is 2,6-bis(2-methylpropyl)-4-nonylphenol.
What is the SMILES notation for 2,6-bis(2-methylpropyl)-4-nonylphenol?
The canonical SMILES for 2,6-bis(2-methylpropyl)-4-nonylphenol is CCCCCCCCCc1cc(CC(C)C)c(O)c(CC(C)C)c1.
What is the InChIKey of 2,6-bis(2-methylpropyl)-4-nonylphenol?
The InChIKey is ZXZIMYMEAYDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-6-7-8-9-10-11-12-13-20-16-21(14-18(2)3)23(24)22(17-20)15-19(4)5/h16-19,24H,6-15H2,1-5H3.
What are the key properties of 2,6-bis(2-methylpropyl)-4-nonylphenol?
2,6-bis(2-methylpropyl)-4-nonylphenol has a molecular weight of 332.57 g/mol, XLogP of 7.08, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylpropyl)-4-nonylphenol is sourced from PubChem (CID 126622784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).