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

C15H13N3O2 — CID 135899490

IUPAC4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C15H13N3O2/c1-18-15(11-4-8-13(20)9-5-11)16-14(17-18)10-2-6-12(19)7-3-10/h2-9,19-20H,1H3
InChIKeyMZXRTZFIXRPNME-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.56
Rot. Bonds2

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

4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135899490) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol
PubChem CID135899490
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1nc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C15H13N3O2/c1-18-15(11-4-8-13(20)9-5-11)16-14(17-18)10-2-6-12(19)7-3-10/h2-9,19-20H,1H3
InChIKeyMZXRTZFIXRPNME-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 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol (CID 135899490) is 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol is Cn1nc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is MZXRTZFIXRPNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-15(11-4-8-13(20)9-5-11)16-14(17-18)10-2-6-12(19)7-3-10/h2-9,19-20H,1H3.
What are the key properties of 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol?
4-[5-(4-hydroxyphenyl)-1-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 4-[5-(4-hydroxyphenyl)-1-methyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135899490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).