4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole

C21H17N3O2 — CID 18925815

IUPAC4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole
SMILESC=Cc1ccc(COc2ccc(-c3cccc4nn(O)nc34)cc2)cc1
InChIInChI=1S/C21H17N3O2/c1-2-15-6-8-16(9-7-15)14-26-18-12-10-17(11-13-18)19-4-3-5-20-21(19)23-24(25)22-20/h2-13,25H,1,14H2
InChIKeyGHSOUMSKQHINQA-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.56
Rot. Bonds5

About 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole

4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole (PubChem CID 18925815) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole.

Molecular Properties

Compound Name4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole
PubChem CID18925815
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole
SMILESC=Cc1ccc(COc2ccc(-c3cccc4nn(O)nc34)cc2)cc1
InChIInChI=1S/C21H17N3O2/c1-2-15-6-8-16(9-7-15)14-26-18-12-10-17(11-13-18)19-4-3-5-20-21(19)23-24(25)22-20/h2-13,25H,1,14H2
InChIKeyGHSOUMSKQHINQA-UHFFFAOYSA-N
XLogP4.56
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole?
The IUPAC name of 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole (CID 18925815) is 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole.
What is the SMILES notation for 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole?
The canonical SMILES for 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole is C=Cc1ccc(COc2ccc(-c3cccc4nn(O)nc34)cc2)cc1.
What is the InChIKey of 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole?
The InChIKey is GHSOUMSKQHINQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-2-15-6-8-16(9-7-15)14-26-18-12-10-17(11-13-18)19-4-3-5-20-21(19)23-24(25)22-20/h2-13,25H,1,14H2.
What are the key properties of 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole?
4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole has a molecular weight of 343.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-ethenylphenyl)methoxy]phenyl]-2-hydroxybenzotriazole is sourced from PubChem (CID 18925815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).