4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol

C17H17N3O3 — CID 50908752

IUPAC4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol
SMILESCOc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1OC
InChIInChI=1S/C17H17N3O3/c1-22-16-5-3-4-13(17(16)23-2)10-20-11-15(18-19-20)12-6-8-14(21)9-7-12/h3-9,11,21H,10H2,1-2H3
InChIKeyIAZNDXVEAROTIW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.72
Rot. Bonds5

About 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol

4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol (PubChem CID 50908752) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol
PubChem CID50908752
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol
SMILESCOc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1OC
InChIInChI=1S/C17H17N3O3/c1-22-16-5-3-4-13(17(16)23-2)10-20-11-15(18-19-20)12-6-8-14(21)9-7-12/h3-9,11,21H,10H2,1-2H3
InChIKeyIAZNDXVEAROTIW-UHFFFAOYSA-N
XLogP2.72
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 25067808
2-(2-Methylphenoxy)-5-[(4-Phenyl-1h-1,2,3-Triazol-1-Yl)methyl]phenol
CID 91826693
4-[(4-Heptyltriazol-1-yl)methyl]-5-iodo-2-methoxyphenol
CID 162651556
4-Benzotriazol-1-ylmethyl-2-methoxy-phenol
CID 6498136
(NE)-N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6898261
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
5-Methoxy-2-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 136126530
2-Methoxy-4-[6-(4-methoxyphenyl) pyrazin-2-yl]phenol
CID 137120099
1-[(3-Methoxyphenyl)methyl]-4-(4-pentylphenyl)triazole
CID 24789346
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
2,6-Bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride
CID 44532263
2-Methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol
CID 44585268

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol?
The IUPAC name of 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol (CID 50908752) is 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol is COc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1OC.
What is the InChIKey of 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol?
The InChIKey is IAZNDXVEAROTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-16-5-3-4-13(17(16)23-2)10-20-11-15(18-19-20)12-6-8-14(21)9-7-12/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol?
4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol has a molecular weight of 311.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,3-dimethoxyphenyl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 50908752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).