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

C21H33N3O3 — CID 90302238

IUPAC3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine
SMILESCCCCCCOc1c(O)ccc(CC)c1CC.COCc1ccnnn1
InChIInChI=1S/C16H26O2.C5H7N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-9-4-5-2-3-6-8-7-5/h10-11,17H,4-9,12H2,1-3H3;2-3H,4H2,1H3
InChIKeyCJSRIAGPOXBZHC-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.49
Rot. Bonds10

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

3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine (PubChem CID 90302238) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine.

Molecular Properties

Compound Name3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine
PubChem CID90302238
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine
SMILESCCCCCCOc1c(O)ccc(CC)c1CC.COCc1ccnnn1
InChIInChI=1S/C16H26O2.C5H7N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-9-4-5-2-3-6-8-7-5/h10-11,17H,4-9,12H2,1-3H3;2-3H,4H2,1H3
InChIKeyCJSRIAGPOXBZHC-UHFFFAOYSA-N
XLogP4.49
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.49
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-(2-methoxyphenyl)triazine
CID 66902350
3,4-diethyl-2-hexoxyphenol;2-methyl-1-(triazin-4-yl)prop-2-en-1-one
CID 175349775
3,4-diethyl-2-hexoxyphenol;4-methoxy-1-phenyl-2H-triazine
CID 71092188
bis(3-ethyl-2-hexoxyphenol);2-methoxyphenol;triazine
CID 68623566
5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
CID 87522650
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021
2,3,4-tridodecoxyphenol
CID 67180426
4-butyl-3-tridecoxybenzene-1,2-diol
CID 154435321
1,2-diethyl-3-hexoxy-4-phenoxybenzene
CID 175596761
2-butoxy-3-ethylphenol
CID 67732111
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine?
The IUPAC name of 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine (CID 90302238) is 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine.
What is the SMILES notation for 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine?
The canonical SMILES for 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine is CCCCCCOc1c(O)ccc(CC)c1CC.COCc1ccnnn1.
What is the InChIKey of 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine?
The InChIKey is CJSRIAGPOXBZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C5H7N3O/c1-4-7-8-9-12-18-16-14(6-3)13(5-2)10-11-15(16)17;1-9-4-5-2-3-6-8-7-5/h10-11,17H,4-9,12H2,1-3H3;2-3H,4H2,1H3.
What are the key properties of 3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine?
3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine has a molecular weight of 375.51 g/mol, XLogP of 4.49, 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-(methoxymethyl)triazine is sourced from PubChem (CID 90302238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).