3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine

C26H35N3O3 — CID 66902350

IUPAC3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
SMILESCCCCCCOc1c(O)ccc(CC)c1CC.COc1ccccc1-c1ccnnn1
InChIInChI=1S/C16H26O2.C10H9N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-14-10-5-3-2-4-8(10)9-6-7-11-13-12-9/h10-11,17H,4-9,12H2,1-3H3;2-7H,1H3
InChIKeyKYLWMDXCISPQHM-UHFFFAOYSA-N
MW437.58 g/mol
LogP6.02
Rot. Bonds10

About 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine

3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine (PubChem CID 66902350) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine.

Molecular Properties

Compound Name3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
PubChem CID66902350
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
SMILESCCCCCCOc1c(O)ccc(CC)c1CC.COc1ccccc1-c1ccnnn1
InChIInChI=1S/C16H26O2.C10H9N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-14-10-5-3-2-4-8(10)9-6-7-11-13-12-9/h10-11,17H,4-9,12H2,1-3H3;2-7H,1H3
InChIKeyKYLWMDXCISPQHM-UHFFFAOYSA-N
XLogP6.02
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.02
H-Bond Donors ≤ 51
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-(methoxymethyl)triazine
CID 90302238
3,4-diethyl-2-hexoxyphenol;2-methyl-1-(triazin-4-yl)prop-2-en-1-one
CID 175349775
bis(3-ethyl-2-hexoxyphenol);2-methoxyphenol;triazine
CID 68623566
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021
3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine
CID 71092188
5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
CID 87522650
4-(3-ethyloctan-3-yloxy)-2-(3-methylbutyl)phenol;4-(2-methoxyphenyl)triazine
CID 90106626
1,2-diethyl-3-hexoxy-4-phenoxybenzene
CID 175596761
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
2-ethyl-3-hexoxyphenol
CID 118561746
2,3-dipentoxyphenol
CID 57426098
2-tridecoxyphenol
CID 67178320

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine?
The IUPAC name of 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine (CID 66902350) is 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine.
What is the SMILES notation for 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine?
The canonical SMILES for 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine is CCCCCCOc1c(O)ccc(CC)c1CC.COc1ccccc1-c1ccnnn1.
What is the InChIKey of 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine?
The InChIKey is KYLWMDXCISPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C10H9N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-14-10-5-3-2-4-8(10)9-6-7-11-13-12-9/h10-11,17H,4-9,12H2,1-3H3;2-7H,1H3.
What are the key properties of 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine?
3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine has a molecular weight of 437.58 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine is sourced from PubChem (CID 66902350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).