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

C18H19N3O2 — CID 162649829

IUPAC5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
SMILESCCc1cn(Cc2ccc(Oc3ccccc3C)c(O)c2)nn1
InChIInChI=1S/C18H19N3O2/c1-3-15-12-21(20-19-15)11-14-8-9-18(16(22)10-14)23-17-7-5-4-6-13(17)2/h4-10,12,22H,3,11H2,1-2H3
InChIKeyAOIRJDHYIFQNSI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.70
Rot. Bonds5

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

5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol (PubChem CID 162649829) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol.

Molecular Properties

Compound Name5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
PubChem CID162649829
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
SMILESCCc1cn(Cc2ccc(Oc3ccccc3C)c(O)c2)nn1
InChIInChI=1S/C18H19N3O2/c1-3-15-12-21(20-19-15)11-14-8-9-18(16(22)10-14)23-17-7-5-4-6-13(17)2/h4-10,12,22H,3,11H2,1-2H3
InChIKeyAOIRJDHYIFQNSI-UHFFFAOYSA-N
XLogP3.70
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-Butyltriazol-1-yl)methyl]-2-chlorophenoxy]-5-chlorophenol
CID 71733294
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
4-(1-(2,3-dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)phenol
CID 50908752
2-Methoxy-4-[6-(4-methoxyphenyl) pyrazin-2-yl]phenol
CID 137120099
2-Methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]phenol
CID 49865638
1-[[4-[3-(1-Butyltriazol-4-yl)propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53361302
1-[[4-[(1-Butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363109
1-[[4-[4-(1-Butyltriazol-4-yl)butoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363110
1-[[4-[[1-(2-Ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363199
1-[[4-[3-[1-(2-Ethoxyethyl)triazol-4-yl]propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363200

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol?
The IUPAC name of 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol (CID 162649829) is 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol.
What is the SMILES notation for 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol?
The canonical SMILES for 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol is CCc1cn(Cc2ccc(Oc3ccccc3C)c(O)c2)nn1.
What is the InChIKey of 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol?
The InChIKey is AOIRJDHYIFQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-15-12-21(20-19-15)11-14-8-9-18(16(22)10-14)23-17-7-5-4-6-13(17)2/h4-10,12,22H,3,11H2,1-2H3.
What are the key properties of 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol?
5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol has a molecular weight of 309.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyltriazol-1-yl)methyl]-2-(2-methylphenoxy)phenol is sourced from PubChem (CID 162649829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).