3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol

C15H13N3O2 — CID 24901650

IUPAC3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol
SMILESOc1cccc(C(c2cccc(O)c2)n2cncn2)c1
InChIInChI=1S/C15H13N3O2/c19-13-5-1-3-11(7-13)15(18-10-16-9-17-18)12-4-2-6-14(20)8-12/h1-10,15,19-20H
InChIKeyJDFNVSHSQREWPL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.33
Rot. Bonds3

About 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol

3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol (PubChem CID 24901650) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol
PubChem CID24901650
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol
SMILESOc1cccc(C(c2cccc(O)c2)n2cncn2)c1
InChIInChI=1S/C15H13N3O2/c19-13-5-1-3-11(7-13)15(18-10-16-9-17-18)12-4-2-6-14(20)8-12/h1-10,15,19-20H
InChIKeyJDFNVSHSQREWPL-UHFFFAOYSA-N
XLogP2.33
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol?
The IUPAC name of 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol (CID 24901650) is 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol?
The canonical SMILES for 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol is Oc1cccc(C(c2cccc(O)c2)n2cncn2)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol?
The InChIKey is JDFNVSHSQREWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-13-5-1-3-11(7-13)15(18-10-16-9-17-18)12-4-2-6-14(20)8-12/h1-10,15,19-20H.
What are the key properties of 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol?
3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol is sourced from PubChem (CID 24901650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).