4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol

C15H13N3O2 — CID 162657424

IUPAC4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol
SMILESCOc1ccc(-c2n[nH]nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13N3O2/c1-20-13-8-4-11(5-9-13)15-14(16-18-17-15)10-2-6-12(19)7-3-10/h2-9,19H,1H3,(H,16,17,18)
InChIKeyBEOUCWOIIWJHRF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.85
Rot. Bonds3

About 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol

4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol (PubChem CID 162657424) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol
PubChem CID162657424
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol
SMILESCOc1ccc(-c2n[nH]nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13N3O2/c1-20-13-8-4-11(5-9-13)15-14(16-18-17-15)10-2-6-12(19)7-3-10/h2-9,19H,1H3,(H,16,17,18)
InChIKeyBEOUCWOIIWJHRF-UHFFFAOYSA-N
XLogP2.85
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol?
The IUPAC name of 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol (CID 162657424) is 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol is COc1ccc(-c2n[nH]nc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol?
The InChIKey is BEOUCWOIIWJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-8-4-11(5-9-13)15-14(16-18-17-15)10-2-6-12(19)7-3-10/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol?
4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol is sourced from PubChem (CID 162657424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).