2-hexoxyphenol;5-methoxy-4-phenyltriazine

C22H27N3O3 — CID 66770097

IUPAC2-hexoxyphenol;5-methoxy-4-phenyltriazine
SMILESCCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C12H18O2.C10H9N3O/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h5-6,8-9,13H,2-4,7,10H2,1H3;2-7H,1H3
InChIKeyHMUKXWVYIAMION-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.90
Rot. Bonds8

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

2-hexoxyphenol;5-methoxy-4-phenyltriazine (PubChem CID 66770097) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-hexoxyphenol;5-methoxy-4-phenyltriazine.

Molecular Properties

Compound Name2-hexoxyphenol;5-methoxy-4-phenyltriazine
PubChem CID66770097
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-hexoxyphenol;5-methoxy-4-phenyltriazine
SMILESCCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C12H18O2.C10H9N3O/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h5-6,8-9,13H,2-4,7,10H2,1H3;2-7H,1H3
InChIKeyHMUKXWVYIAMION-UHFFFAOYSA-N
XLogP4.90
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of 2-hexoxyphenol;5-methoxy-4-phenyltriazine?
The IUPAC name of 2-hexoxyphenol;5-methoxy-4-phenyltriazine (CID 66770097) is 2-hexoxyphenol;5-methoxy-4-phenyltriazine.
What is the SMILES notation for 2-hexoxyphenol;5-methoxy-4-phenyltriazine?
The canonical SMILES for 2-hexoxyphenol;5-methoxy-4-phenyltriazine is CCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1.
What is the InChIKey of 2-hexoxyphenol;5-methoxy-4-phenyltriazine?
The InChIKey is HMUKXWVYIAMION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C10H9N3O/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h5-6,8-9,13H,2-4,7,10H2,1H3;2-7H,1H3.
What are the key properties of 2-hexoxyphenol;5-methoxy-4-phenyltriazine?
2-hexoxyphenol;5-methoxy-4-phenyltriazine has a molecular weight of 381.48 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyphenol;5-methoxy-4-phenyltriazine is sourced from PubChem (CID 66770097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).