1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol

C16H15N3O2 — CID 118914042

IUPAC1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol
SMILESOC(Cc1cn[nH]n1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15(10-12-11-17-19-18-12)14-8-4-5-9-16(14)21-13-6-2-1-3-7-13/h1-9,11,15,20H,10H2,(H,17,18,19)
InChIKeyXTTALTQCMUKFEB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol

1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol (PubChem CID 118914042) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol
PubChem CID118914042
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol
SMILESOC(Cc1cn[nH]n1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15(10-12-11-17-19-18-12)14-8-4-5-9-16(14)21-13-6-2-1-3-7-13/h1-9,11,15,20H,10H2,(H,17,18,19)
InChIKeyXTTALTQCMUKFEB-UHFFFAOYSA-N
XLogP2.87
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol?
The IUPAC name of 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol (CID 118914042) is 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol is OC(Cc1cn[nH]n1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol?
The InChIKey is XTTALTQCMUKFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15(10-12-11-17-19-18-12)14-8-4-5-9-16(14)21-13-6-2-1-3-7-13/h1-9,11,15,20H,10H2,(H,17,18,19).
What are the key properties of 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol?
1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol has a molecular weight of 281.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 118914042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).