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

C15H13N3O2 — CID 156521583

IUPAC4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
SMILESCOc1cccc(-n2cc(-c3ccc(O)cc3)nn2)c1
InChIInChI=1S/C15H13N3O2/c1-20-14-4-2-3-12(9-14)18-10-15(16-17-18)11-5-7-13(19)8-6-11/h2-10,19H,1H3
InChIKeyRBUIJNOZENHBCL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds3

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

4-[1-(3-methoxyphenyl)triazol-4-yl]phenol (PubChem CID 156521583) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
PubChem CID156521583
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
SMILESCOc1cccc(-n2cc(-c3ccc(O)cc3)nn2)c1
InChIInChI=1S/C15H13N3O2/c1-20-14-4-2-3-12(9-14)18-10-15(16-17-18)11-5-7-13(19)8-6-11/h2-10,19H,1H3
InChIKeyRBUIJNOZENHBCL-UHFFFAOYSA-N
XLogP2.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 25067808
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-(1-(2,3-dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)phenol
CID 50908752
5-Methoxy-2-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 136126530
4-[1-(3,4-Dihydroxyphenyl)triazol-4-yl]benzene-1,2-diol
CID 136265455
3-[1-(3-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]phenol
CID 16721115
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
1-(1,3-Benzodioxol-5-yl)-4-(4-methoxyphenyl)triazole
CID 11687953

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol?
The IUPAC name of 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol (CID 156521583) is 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol?
The canonical SMILES for 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol is COc1cccc(-n2cc(-c3ccc(O)cc3)nn2)c1.
What is the InChIKey of 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol?
The InChIKey is RBUIJNOZENHBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-4-2-3-12(9-14)18-10-15(16-17-18)11-5-7-13(19)8-6-11/h2-10,19H,1H3.
What are the key properties of 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol?
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxyphenyl)triazol-4-yl]phenol is sourced from PubChem (CID 156521583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).