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

C14H11N3O2 — CID 16721115

IUPAC3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol
SMILESOc1cccc(-c2cn(-c3cccc(O)c3)nn2)c1
InChIInChI=1S/C14H11N3O2/c18-12-5-1-3-10(7-12)14-9-17(16-15-14)11-4-2-6-13(19)8-11/h1-9,18-19H
InChIKeyKRTBMWIULWLCTM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.35
Rot. Bonds2

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

3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol (PubChem CID 16721115) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol
PubChem CID16721115
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol
SMILESOc1cccc(-c2cn(-c3cccc(O)c3)nn2)c1
InChIInChI=1S/C14H11N3O2/c18-12-5-1-3-10(7-12)14-9-17(16-15-14)11-4-2-6-13(19)8-11/h1-9,18-19H
InChIKeyKRTBMWIULWLCTM-UHFFFAOYSA-N
XLogP2.35
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol?
The IUPAC name of 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol (CID 16721115) is 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol.
What is the SMILES notation for 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol?
The canonical SMILES for 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol is Oc1cccc(-c2cn(-c3cccc(O)c3)nn2)c1.
What is the InChIKey of 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol?
The InChIKey is KRTBMWIULWLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-12-5-1-3-10(7-12)14-9-17(16-15-14)11-4-2-6-13(19)8-11/h1-9,18-19H.
What are the key properties of 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol?
3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol has a molecular weight of 253.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxyphenyl)triazol-4-yl]phenol is sourced from PubChem (CID 16721115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).