3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol

C15H13N3O2 — CID 135899474

IUPAC3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(-c2ccc(O)cc2)nc1-c1cccc(O)c1
InChIInChI=1S/C15H13N3O2/c1-18-15(11-3-2-4-13(20)9-11)16-14(17-18)10-5-7-12(19)8-6-10/h2-9,19-20H,1H3
InChIKeySMMKUMPCCQCGKP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.56
Rot. Bonds2

About 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol

3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135899474) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol
PubChem CID135899474
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(-c2ccc(O)cc2)nc1-c1cccc(O)c1
InChIInChI=1S/C15H13N3O2/c1-18-15(11-3-2-4-13(20)9-11)16-14(17-18)10-5-7-12(19)8-6-10/h2-9,19-20H,1H3
InChIKeySMMKUMPCCQCGKP-UHFFFAOYSA-N
XLogP2.56
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol (CID 135899474) is 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol is Cn1nc(-c2ccc(O)cc2)nc1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is SMMKUMPCCQCGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-15(11-3-2-4-13(20)9-11)16-14(17-18)10-5-7-12(19)8-6-10/h2-9,19-20H,1H3.
What are the key properties of 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol?
3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135899474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).