5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine

C24H31N3O3 — CID 87522650

IUPAC5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
SMILESCCCCCCOc1c(CC)cc(O)c(OC)c1-c1ccccc1.c1cnnnc1
InChIInChI=1S/C21H28O3.C3H3N3/c1-4-6-7-11-14-24-20-16(5-2)15-18(22)21(23-3)19(20)17-12-9-8-10-13-17;1-2-4-6-5-3-1/h8-10,12-13,15,22H,4-7,11,14H2,1-3H3;1-3H
InChIKeyINIWHKYRADRPCP-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.46
Rot. Bonds9

About 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine

5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine (PubChem CID 87522650) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine.

Molecular Properties

Compound Name5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
PubChem CID87522650
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine
SMILESCCCCCCOc1c(CC)cc(O)c(OC)c1-c1ccccc1.c1cnnnc1
InChIInChI=1S/C21H28O3.C3H3N3/c1-4-6-7-11-14-24-20-16(5-2)15-18(22)21(23-3)19(20)17-12-9-8-10-13-17;1-2-4-6-5-3-1/h8-10,12-13,15,22H,4-7,11,14H2,1-3H3;1-3H
InChIKeyINIWHKYRADRPCP-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
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021
3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
CID 66902350
4-(2,3-dioctoxyphenyl)-5-methoxy-6-phenyltriazine
CID 150639751
4-ethyl-5-hexoxy-6-phenyltriazine
CID 67125281
3,4-diethyl-2-hexoxyphenol;4-(methoxymethyl)triazine
CID 90302238
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
2,3,7,10-tetrahexoxy-6,11-diphenyltriphenylene
CID 132990475
3,4-dihexoxynaphthalen-1-ol
CID 19873008
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506
3,4-diethyl-2-hexoxyphenol;2-methyl-1-(triazin-4-yl)prop-2-en-1-one
CID 175349775
1,3-difluoro-2-octoxy-5-phenylbenzene
CID 15176798

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine?
The IUPAC name of 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine (CID 87522650) is 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine.
What is the SMILES notation for 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine?
The canonical SMILES for 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine is CCCCCCOc1c(CC)cc(O)c(OC)c1-c1ccccc1.c1cnnnc1.
What is the InChIKey of 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine?
The InChIKey is INIWHKYRADRPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3.C3H3N3/c1-4-6-7-11-14-24-20-16(5-2)15-18(22)21(23-3)19(20)17-12-9-8-10-13-17;1-2-4-6-5-3-1/h8-10,12-13,15,22H,4-7,11,14H2,1-3H3;1-3H.
What are the key properties of 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine?
5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine 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 5-ethyl-4-hexoxy-2-methoxy-3-phenylphenol;triazine is sourced from PubChem (CID 87522650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).