5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol

C17H17N3O4 — CID 24901651

IUPAC5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(C(c2ccc(OC)c(O)c2)n2cncn2)cc1O
InChIInChI=1S/C17H17N3O4/c1-23-15-5-3-11(7-13(15)21)17(20-10-18-9-19-20)12-4-6-16(24-2)14(22)8-12/h3-10,17,21-22H,1-2H3
InChIKeyVNPBMNVOYOBQLB-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.34
Rot. Bonds5

About 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol

5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol (PubChem CID 24901651) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol
PubChem CID24901651
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(C(c2ccc(OC)c(O)c2)n2cncn2)cc1O
InChIInChI=1S/C17H17N3O4/c1-23-15-5-3-11(7-13(15)21)17(20-10-18-9-19-20)12-4-6-16(24-2)14(22)8-12/h3-10,17,21-22H,1-2H3
InChIKeyVNPBMNVOYOBQLB-UHFFFAOYSA-N
XLogP2.34
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-hydroxy-3-methoxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]-2-methoxyphenol
CID 24901652
2-methoxy-4-(1H-tetrazol-1-ylmethyl)phenol
CID 690246
5-(4-Methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3538133
5-Phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4119443
(2-methoxy-5-{[4-methoxy-3-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate
CID 11540334
5-[5-(3,4-Dimethoxyphenyl)(4,7,8-trihydro-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)]-1,2,3-trimethoxybenzene
CID 3756154
7-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3817295
(2-methoxy-4-{[3-methoxy-4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate
CID 24901644
7-(4-Hydroxy-3-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135419084
1-[(4-Methoxyphenyl)-diphenylmethyl]-1,2,4-triazole
CID 42646848
1-[Bis(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 56652770
1,2-Dimethoxy-4-(5,6,7,8,12-pentahydrobenzo[h]1,2,4-triazolo[5,1-b]quinazolin-7-yl)benzene
CID 653522

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol (CID 24901651) is 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol is COc1ccc(C(c2ccc(OC)c(O)c2)n2cncn2)cc1O.
What is the InChIKey of 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol?
The InChIKey is VNPBMNVOYOBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-15-5-3-11(7-13(15)21)17(20-10-18-9-19-20)12-4-6-16(24-2)14(22)8-12/h3-10,17,21-22H,1-2H3.
What are the key properties of 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol?
5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol has a molecular weight of 327.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-4-methoxyphenyl)-(1,2,4-triazol-1-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 24901651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).