2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol

C16H15N3O2 — CID 118692300

IUPAC2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C16H15N3O2/c20-11-10-19-12-17-16(18-19)14-8-4-5-9-15(14)21-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2
InChIKeyAQNQYHUMHQBVQC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.73
Rot. Bonds5

About 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol

2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 118692300) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID118692300
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C16H15N3O2/c20-11-10-19-12-17-16(18-19)14-8-4-5-9-15(14)21-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2
InChIKeyAQNQYHUMHQBVQC-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol 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-[3-(2-ethoxyphenyl)-1,2,4-triazol-1-yl]acetic acid
CID 82295719
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
[4-(2-phenoxyphenyl)triazol-1-yl]methanol
CID 67927974
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
2-[4-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanol
CID 126474260
2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
CID 19708402
5-(2-phenoxyphenyl)-3,4-dihydro-2H-pyrrole
CID 22084810
2-(2-phenoxyphenyl)furan
CID 173223033
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol
CID 141010071

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol (CID 118692300) is 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol is OCCn1cnc(-c2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is AQNQYHUMHQBVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-11-10-19-12-17-16(18-19)14-8-4-5-9-15(14)21-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2.
What are the key properties of 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 281.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 118692300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).