2,4-di(nonyl)phenol

C24H42O — CID 8735

IUPAC2,4-di(nonyl)phenol
SMILESCCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1
InChIInChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3
InChIKeyFDAJTLLBHNHECW-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.98
Rot. Bonds16

About 2,4-di(nonyl)phenol

2,4-di(nonyl)phenol (PubChem CID 8735) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2,4-di(nonyl)phenol.

Molecular Properties

Compound Name2,4-di(nonyl)phenol
PubChem CID8735
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2,4-di(nonyl)phenol
SMILESCCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1
InChIInChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3
InChIKeyFDAJTLLBHNHECW-UHFFFAOYSA-N
XLogP7.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.98
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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Frequently Asked Questions

What is the IUPAC name of 2,4-di(nonyl)phenol?
The IUPAC name of 2,4-di(nonyl)phenol (CID 8735) is 2,4-di(nonyl)phenol.
What is the SMILES notation for 2,4-di(nonyl)phenol?
The canonical SMILES for 2,4-di(nonyl)phenol is CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1.
What is the InChIKey of 2,4-di(nonyl)phenol?
The InChIKey is FDAJTLLBHNHECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3.
What are the key properties of 2,4-di(nonyl)phenol?
2,4-di(nonyl)phenol has a molecular weight of 346.60 g/mol, XLogP of 7.98, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(nonyl)phenol is sourced from PubChem (CID 8735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).