4-(1-naphthalen-1-yltriazol-4-yl)phenol

C18H13N3O — CID 52947273

IUPAC4-(1-naphthalen-1-yltriazol-4-yl)phenol
SMILESOc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1
InChIInChI=1S/C18H13N3O/c22-15-10-8-14(9-11-15)17-12-21(20-19-17)18-7-3-5-13-4-1-2-6-16(13)18/h1-12,22H
InChIKeyZOBXUXLIEJOSII-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.79
Rot. Bonds2

About 4-(1-naphthalen-1-yltriazol-4-yl)phenol

4-(1-naphthalen-1-yltriazol-4-yl)phenol (PubChem CID 52947273) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(1-naphthalen-1-yltriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(1-naphthalen-1-yltriazol-4-yl)phenol
PubChem CID52947273
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name4-(1-naphthalen-1-yltriazol-4-yl)phenol
SMILESOc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1
InChIInChI=1S/C18H13N3O/c22-15-10-8-14(9-11-15)17-12-21(20-19-17)18-7-3-5-13-4-1-2-6-16(13)18/h1-12,22H
InChIKeyZOBXUXLIEJOSII-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-1-yltriazol-4-yl)phenol?
The IUPAC name of 4-(1-naphthalen-1-yltriazol-4-yl)phenol (CID 52947273) is 4-(1-naphthalen-1-yltriazol-4-yl)phenol.
What is the SMILES notation for 4-(1-naphthalen-1-yltriazol-4-yl)phenol?
The canonical SMILES for 4-(1-naphthalen-1-yltriazol-4-yl)phenol is Oc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1.
What is the InChIKey of 4-(1-naphthalen-1-yltriazol-4-yl)phenol?
The InChIKey is ZOBXUXLIEJOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-15-10-8-14(9-11-15)17-12-21(20-19-17)18-7-3-5-13-4-1-2-6-16(13)18/h1-12,22H.
What are the key properties of 4-(1-naphthalen-1-yltriazol-4-yl)phenol?
4-(1-naphthalen-1-yltriazol-4-yl)phenol has a molecular weight of 287.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-naphthalen-1-yltriazol-4-yl)phenol is sourced from PubChem (CID 52947273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).