4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol

C22H27N3O3 — CID 175017241

IUPAC4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol
SMILESCCC(C)(CC)Oc1ccccc1O.COc1ccccc1-c1ccnnn1
InChIInChI=1S/C12H18O2.C10H9N3O/c1-4-12(3,5-2)14-11-9-7-6-8-10(11)13;1-14-10-5-3-2-4-8(10)9-6-7-11-13-12-9/h6-9,13H,4-5H2,1-3H3;2-7H,1H3
InChIKeyRLVARMQCHZQCHH-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.90
Rot. Bonds6

About 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol

4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol (PubChem CID 175017241) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol
PubChem CID175017241
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol
SMILESCCC(C)(CC)Oc1ccccc1O.COc1ccccc1-c1ccnnn1
InChIInChI=1S/C12H18O2.C10H9N3O/c1-4-12(3,5-2)14-11-9-7-6-8-10(11)13;1-14-10-5-3-2-4-8(10)9-6-7-11-13-12-9/h6-9,13H,4-5H2,1-3H3;2-7H,1H3
InChIKeyRLVARMQCHZQCHH-UHFFFAOYSA-N
XLogP4.90
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol?
The IUPAC name of 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol (CID 175017241) is 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol.
What is the SMILES notation for 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol?
The canonical SMILES for 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol is CCC(C)(CC)Oc1ccccc1O.COc1ccccc1-c1ccnnn1.
What is the InChIKey of 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol?
The InChIKey is RLVARMQCHZQCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C10H9N3O/c1-4-12(3,5-2)14-11-9-7-6-8-10(11)13;1-14-10-5-3-2-4-8(10)9-6-7-11-13-12-9/h6-9,13H,4-5H2,1-3H3;2-7H,1H3.
What are the key properties of 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol?
4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol has a molecular weight of 381.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol is sourced from PubChem (CID 175017241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).