3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine

C24H31N3O3 — CID 66601021

IUPAC3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
SMILESCCCCCCOc1c(O)cccc1CC.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C14H22O2.C10H9N3O/c1-3-5-6-7-11-16-14-12(4-2)9-8-10-13(14)15;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h8-10,15H,3-7,11H2,1-2H3;2-7H,1H3
InChIKeyXPSXNFUPMKXMLB-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.46
Rot. Bonds9

About 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine

3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine (PubChem CID 66601021) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine.

Molecular Properties

Compound Name3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
PubChem CID66601021
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
SMILESCCCCCCOc1c(O)cccc1CC.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C14H22O2.C10H9N3O/c1-3-5-6-7-11-16-14-12(4-2)9-8-10-13(14)15;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h8-10,15H,3-7,11H2,1-2H3;2-7H,1H3
InChIKeyXPSXNFUPMKXMLB-UHFFFAOYSA-N
XLogP5.46
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.46
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

bis(3-ethyl-2-hexoxyphenol);2-methoxyphenol;triazine
CID 68623566
2-butoxy-3-ethylphenol
CID 67732111
4-ethyl-5-hexoxy-6-phenyltriazine
CID 67125281
1,4-diethyl-6-hexoxycyclohexa-2,4-dien-1-ol;5-methoxy-4-phenyltriazine
CID 175431463
4-(2,3-dioctoxyphenyl)-5-methoxy-6-phenyltriazine
CID 150639751
3-(3-ethyloctan-3-yloxy)phenol;5-methoxy-4-phenyltriazine
CID 160665159
5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
CID 87522650
3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
CID 66902350
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
methyl 3-hydroxy-2-tetradecoxybenzoate
CID 19014178
2,3-dipentoxyphenol
CID 57426098
CID 174953197
CID 174953197

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine?
The IUPAC name of 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine (CID 66601021) is 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine.
What is the SMILES notation for 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine?
The canonical SMILES for 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine is CCCCCCOc1c(O)cccc1CC.COc1cnnnc1-c1ccccc1.
What is the InChIKey of 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine?
The InChIKey is XPSXNFUPMKXMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2.C10H9N3O/c1-3-5-6-7-11-16-14-12(4-2)9-8-10-13(14)15;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h8-10,15H,3-7,11H2,1-2H3;2-7H,1H3.
What are the key properties of 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine?
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine has a molecular weight of 409.53 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine is sourced from PubChem (CID 66601021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).