3-ethyl-4-methyl-2-nonylphenol

C18H30O — CID 66865942

IUPAC3-ethyl-4-methyl-2-nonylphenol
SMILESCCCCCCCCCc1c(O)ccc(C)c1CC
InChIInChI=1S/C18H30O/c1-4-6-7-8-9-10-11-12-17-16(5-2)15(3)13-14-18(17)19/h13-14,19H,4-12H2,1-3H3
InChIKeyZGRFUILNVZSUGA-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.56
Rot. Bonds9

About 3-ethyl-4-methyl-2-nonylphenol

3-ethyl-4-methyl-2-nonylphenol (PubChem CID 66865942) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-ethyl-4-methyl-2-nonylphenol.

Molecular Properties

Compound Name3-ethyl-4-methyl-2-nonylphenol
PubChem CID66865942
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name3-ethyl-4-methyl-2-nonylphenol
SMILESCCCCCCCCCc1c(O)ccc(C)c1CC
InChIInChI=1S/C18H30O/c1-4-6-7-8-9-10-11-12-17-16(5-2)15(3)13-14-18(17)19/h13-14,19H,4-12H2,1-3H3
InChIKeyZGRFUILNVZSUGA-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.56
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-heptyl-4-methyl-3-propylphenol
CID 66865859
2,3-dihexylbenzene-1,4-diol
CID 69329716
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
2-hexyl-3-methylphenol
CID 28322
2-(dimethylamino)-4-methyl-3-nonylphenol
CID 19906462
3,4-diheptyl-2-hexylphenol
CID 66866250
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
4-butyl-2-decyl-3-octylphenol
CID 66866306

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-2-nonylphenol?
The IUPAC name of 3-ethyl-4-methyl-2-nonylphenol (CID 66865942) is 3-ethyl-4-methyl-2-nonylphenol.
What is the SMILES notation for 3-ethyl-4-methyl-2-nonylphenol?
The canonical SMILES for 3-ethyl-4-methyl-2-nonylphenol is CCCCCCCCCc1c(O)ccc(C)c1CC.
What is the InChIKey of 3-ethyl-4-methyl-2-nonylphenol?
The InChIKey is ZGRFUILNVZSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-6-7-8-9-10-11-12-17-16(5-2)15(3)13-14-18(17)19/h13-14,19H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-4-methyl-2-nonylphenol?
3-ethyl-4-methyl-2-nonylphenol has a molecular weight of 262.44 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-2-nonylphenol is sourced from PubChem (CID 66865942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).