2-dodecyl-4-ethyl-3-propylphenol

C23H40O — CID 66867159

IUPAC2-dodecyl-4-ethyl-3-propylphenol
SMILESCCCCCCCCCCCCc1c(O)ccc(CC)c1CCC
InChIInChI=1S/C23H40O/c1-4-7-8-9-10-11-12-13-14-15-17-22-21(16-5-2)20(6-3)18-19-23(22)24/h18-19,24H,4-17H2,1-3H3
InChIKeyPAGPIJRYTSLROB-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.37
Rot. Bonds14

About 2-dodecyl-4-ethyl-3-propylphenol

2-dodecyl-4-ethyl-3-propylphenol (PubChem CID 66867159) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 2-dodecyl-4-ethyl-3-propylphenol.

Molecular Properties

Compound Name2-dodecyl-4-ethyl-3-propylphenol
PubChem CID66867159
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name2-dodecyl-4-ethyl-3-propylphenol
SMILESCCCCCCCCCCCCc1c(O)ccc(CC)c1CCC
InChIInChI=1S/C23H40O/c1-4-7-8-9-10-11-12-13-14-15-17-22-21(16-5-2)20(6-3)18-19-23(22)24/h18-19,24H,4-17H2,1-3H3
InChIKeyPAGPIJRYTSLROB-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-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
2-pentyl-3,4-dipropylphenol
CID 66866454
3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2,3-dihexylbenzene-1,4-diol
CID 69329716
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
3-ethyl-2-octylphenol
CID 66867297
2-heptyl-4-methyl-3-propylphenol
CID 66865859
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-4-ethyl-3-propylphenol?
The IUPAC name of 2-dodecyl-4-ethyl-3-propylphenol (CID 66867159) is 2-dodecyl-4-ethyl-3-propylphenol.
What is the SMILES notation for 2-dodecyl-4-ethyl-3-propylphenol?
The canonical SMILES for 2-dodecyl-4-ethyl-3-propylphenol is CCCCCCCCCCCCc1c(O)ccc(CC)c1CCC.
What is the InChIKey of 2-dodecyl-4-ethyl-3-propylphenol?
The InChIKey is PAGPIJRYTSLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-4-7-8-9-10-11-12-13-14-15-17-22-21(16-5-2)20(6-3)18-19-23(22)24/h18-19,24H,4-17H2,1-3H3.
What are the key properties of 2-dodecyl-4-ethyl-3-propylphenol?
2-dodecyl-4-ethyl-3-propylphenol 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-dodecyl-4-ethyl-3-propylphenol is sourced from PubChem (CID 66867159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).