2,3-dibutyl-4-nonylphenol

C23H40O — CID 23325139

IUPAC2,3-dibutyl-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(CCCC)c1CCCC
InChIInChI=1S/C23H40O/c1-4-7-10-11-12-13-14-15-20-18-19-23(24)22(17-9-6-3)21(20)16-8-5-2/h18-19,24H,4-17H2,1-3H3
InChIKeyUKRWHPPQCWIYBO-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.37
Rot. Bonds14

About 2,3-dibutyl-4-nonylphenol

2,3-dibutyl-4-nonylphenol (PubChem CID 23325139) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 2,3-dibutyl-4-nonylphenol.

Molecular Properties

Compound Name2,3-dibutyl-4-nonylphenol
PubChem CID23325139
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name2,3-dibutyl-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(CCCC)c1CCCC
InChIInChI=1S/C23H40O/c1-4-7-10-11-12-13-14-15-20-18-19-23(24)22(17-9-6-3)21(20)16-8-5-2/h18-19,24H,4-17H2,1-3H3
InChIKeyUKRWHPPQCWIYBO-UHFFFAOYSA-N
XLogP7.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.37
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

4-butyl-2-decyl-3-octylphenol
CID 66866306
3,4-diheptyl-2-hexylphenol
CID 66866250
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
2-pentyl-3,4-dipropylphenol
CID 66866454
2,3-dihexylbenzene-1,4-diol
CID 69329716
3,4-bis(2-aminoethyl)-2-nonylphenol
CID 160520570
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159
2-butyl-3-hexylphenol
CID 141346396

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4-nonylphenol?
The IUPAC name of 2,3-dibutyl-4-nonylphenol (CID 23325139) is 2,3-dibutyl-4-nonylphenol.
What is the SMILES notation for 2,3-dibutyl-4-nonylphenol?
The canonical SMILES for 2,3-dibutyl-4-nonylphenol is CCCCCCCCCc1ccc(O)c(CCCC)c1CCCC.
What is the InChIKey of 2,3-dibutyl-4-nonylphenol?
The InChIKey is UKRWHPPQCWIYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-4-7-10-11-12-13-14-15-20-18-19-23(24)22(17-9-6-3)21(20)16-8-5-2/h18-19,24H,4-17H2,1-3H3.
What are the key properties of 2,3-dibutyl-4-nonylphenol?
2,3-dibutyl-4-nonylphenol has a molecular weight of 332.57 g/mol, XLogP of 7.37, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-nonylphenol is sourced from PubChem (CID 23325139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).