4-(benzotriazol-2-yl)-2-ethenylphenol

C14H11N3O — CID 102011483

IUPAC4-(benzotriazol-2-yl)-2-ethenylphenol
SMILESC=Cc1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C14H11N3O/c1-2-10-9-11(7-8-14(10)18)17-15-12-5-3-4-6-13(12)16-17/h2-9,18H,1H2
InChIKeyAMSKDUZJEXLCCZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.77
Rot. Bonds2

About 4-(benzotriazol-2-yl)-2-ethenylphenol

4-(benzotriazol-2-yl)-2-ethenylphenol (PubChem CID 102011483) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-2-ethenylphenol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-2-ethenylphenol
PubChem CID102011483
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(benzotriazol-2-yl)-2-ethenylphenol
SMILESC=Cc1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C14H11N3O/c1-2-10-9-11(7-8-14(10)18)17-15-12-5-3-4-6-13(12)16-17/h2-9,18H,1H2
InChIKeyAMSKDUZJEXLCCZ-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Drometrizole
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UV-328
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Octrizole
CID 62485
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
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4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
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2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 76605
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
4-(Benzotriazol-2-yl)phenol
CID 1237088
2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
CID 735573
Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
CID 76594

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-2-ethenylphenol?
The IUPAC name of 4-(benzotriazol-2-yl)-2-ethenylphenol (CID 102011483) is 4-(benzotriazol-2-yl)-2-ethenylphenol.
What is the SMILES notation for 4-(benzotriazol-2-yl)-2-ethenylphenol?
The canonical SMILES for 4-(benzotriazol-2-yl)-2-ethenylphenol is C=Cc1cc(-n2nc3ccccc3n2)ccc1O.
What is the InChIKey of 4-(benzotriazol-2-yl)-2-ethenylphenol?
The InChIKey is AMSKDUZJEXLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-10-9-11(7-8-14(10)18)17-15-12-5-3-4-6-13(12)16-17/h2-9,18H,1H2.
What are the key properties of 4-(benzotriazol-2-yl)-2-ethenylphenol?
4-(benzotriazol-2-yl)-2-ethenylphenol has a molecular weight of 237.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-2-ethenylphenol is sourced from PubChem (CID 102011483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).