3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine

C26H37N3O3 — CID 71092188

IUPAC3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine
SMILESCCCCCCOc1c(O)ccc(CC)c1CC.COC1=NNN(c2ccccc2)C=C1
InChIInChI=1S/C16H26O2.C10H11N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-14-10-7-8-13(12-11-10)9-5-3-2-4-6-9/h10-11,17H,4-9,12H2,1-3H3;2-8,12H,1H3
InChIKeyURUFRLOXCNIDNS-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.96
Rot. Bonds9

About 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine

3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine (PubChem CID 71092188) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine.

Molecular Properties

Compound Name3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine
PubChem CID71092188
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine
SMILESCCCCCCOc1c(O)ccc(CC)c1CC.COC1=NNN(c2ccccc2)C=C1
InChIInChI=1S/C16H26O2.C10H11N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-14-10-7-8-13(12-11-10)9-5-3-2-4-6-9/h10-11,17H,4-9,12H2,1-3H3;2-8,12H,1H3
InChIKeyURUFRLOXCNIDNS-UHFFFAOYSA-N
XLogP5.96
TPSA66.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
CID 66902350
3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine
CID 90302238
3,4-diethyl-2-hexoxyphenol;2-methyl-1-(triazin-4-yl)prop-2-en-1-one
CID 175349775
1,2-diethyl-3-hexoxy-4-phenoxybenzene
CID 175596761
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021
5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
CID 87522650
bis(3-ethyl-2-hexoxyphenol);2-methoxyphenol;triazine
CID 68623566
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
2-butoxy-3-ethylphenol
CID 67732111
hexyl 4-hydroxynaphthalene-1-sulfonate
CID 23325951
2,3,4-tridodecoxyphenol
CID 67180426
3-ethyl-2-methoxy-4-propylphenol
CID 67547848

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine?
The IUPAC name of 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine (CID 71092188) is 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine.
What is the SMILES notation for 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine?
The canonical SMILES for 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine is CCCCCCOc1c(O)ccc(CC)c1CC.COC1=NNN(c2ccccc2)C=C1.
What is the InChIKey of 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine?
The InChIKey is URUFRLOXCNIDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C10H11N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-14-10-7-8-13(12-11-10)9-5-3-2-4-6-9/h10-11,17H,4-9,12H2,1-3H3;2-8,12H,1H3.
What are the key properties of 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine?
3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine has a molecular weight of 439.60 g/mol, XLogP of 5.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine is sourced from PubChem (CID 71092188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).