2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol

C22H19N3O2 — CID 91826693

IUPAC2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol
SMILESCc1ccccc1Oc1ccc(Cn2cc(-c3ccccc3)nn2)cc1O
InChIInChI=1S/C22H19N3O2/c1-16-7-5-6-10-21(16)27-22-12-11-17(13-20(22)26)14-25-15-19(23-24-25)18-8-3-2-4-9-18/h2-13,15,26H,14H2,1H3
InChIKeyRXXUNJCEEGMOQJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.80
Rot. Bonds5

About 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol

2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol (PubChem CID 91826693) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol
PubChem CID91826693
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol
SMILESCc1ccccc1Oc1ccc(Cn2cc(-c3ccccc3)nn2)cc1O
InChIInChI=1S/C22H19N3O2/c1-16-7-5-6-10-21(16)27-22-12-11-17(13-20(22)26)14-25-15-19(23-24-25)18-8-3-2-4-9-18/h2-13,15,26H,14H2,1H3
InChIKeyRXXUNJCEEGMOQJ-UHFFFAOYSA-N
XLogP4.80
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol?
The IUPAC name of 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol (CID 91826693) is 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol.
What is the SMILES notation for 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol?
The canonical SMILES for 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol is Cc1ccccc1Oc1ccc(Cn2cc(-c3ccccc3)nn2)cc1O.
What is the InChIKey of 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol?
The InChIKey is RXXUNJCEEGMOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-16-7-5-6-10-21(16)27-22-12-11-17(13-20(22)26)14-25-15-19(23-24-25)18-8-3-2-4-9-18/h2-13,15,26H,14H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol?
2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol has a molecular weight of 357.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol is sourced from PubChem (CID 91826693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).