1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol

C16H15N3O — CID 155513470

IUPAC1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol
SMILESOC(Cc1ccccc1-c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)15-11-17-19-18-15/h1-9,11,16,20H,10H2,(H,17,18,19)
InChIKeyPFSWOURDRVXLLG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.75
Rot. Bonds4

About 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol

1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol (PubChem CID 155513470) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol
PubChem CID155513470
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol
SMILESOC(Cc1ccccc1-c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)15-11-17-19-18-15/h1-9,11,16,20H,10H2,(H,17,18,19)
InChIKeyPFSWOURDRVXLLG-UHFFFAOYSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol?
The IUPAC name of 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol (CID 155513470) is 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol.
What is the SMILES notation for 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol?
The canonical SMILES for 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol is OC(Cc1ccccc1-c1cn[nH]n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol?
The InChIKey is PFSWOURDRVXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)15-11-17-19-18-15/h1-9,11,16,20H,10H2,(H,17,18,19).
What are the key properties of 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol?
1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol has a molecular weight of 265.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(2H-triazol-4-yl)phenyl]ethanol is sourced from PubChem (CID 155513470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).