2H-benzotriazole;4-ethenylphenol

C14H13N3O — CID 19604051

IUPAC2H-benzotriazole;4-ethenylphenol
SMILESC=Cc1ccc(O)cc1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C8H8O.C6H5N3/c1-2-7-3-5-8(9)6-4-7;1-2-4-6-5(3-1)7-9-8-6/h2-6,9H,1H2;1-4H,(H,7,8,9)
InChIKeyLNMKZGOWZHXVLG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.99
Rot. Bonds1

About 2H-benzotriazole;4-ethenylphenol

2H-benzotriazole;4-ethenylphenol (PubChem CID 19604051) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2H-benzotriazole;4-ethenylphenol.

Molecular Properties

Compound Name2H-benzotriazole;4-ethenylphenol
PubChem CID19604051
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2H-benzotriazole;4-ethenylphenol
SMILESC=Cc1ccc(O)cc1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C8H8O.C6H5N3/c1-2-7-3-5-8(9)6-4-7;1-2-4-6-5(3-1)7-9-8-6/h2-6,9H,1H2;1-4H,(H,7,8,9)
InChIKeyLNMKZGOWZHXVLG-UHFFFAOYSA-N
XLogP2.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Drometrizole
CID 17113
Octrizole
CID 62485
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 76605
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
4-[5-(Trifluoromethyl)benzotriazol-2-yl]phenol
CID 127035087
2-(2H-Benzotriazol-2-yl)-5-methylphenol
CID 614392
2-(2H-Benzotriazole-2-yl)phenol
CID 10198220
4-[(E)-2-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)ethenyl]phenol
CID 135993368
2-(2'-Hydroxy-5'-octylphenyl)-benzotriazole
CID 11500765

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;4-ethenylphenol?
The IUPAC name of 2H-benzotriazole;4-ethenylphenol (CID 19604051) is 2H-benzotriazole;4-ethenylphenol.
What is the SMILES notation for 2H-benzotriazole;4-ethenylphenol?
The canonical SMILES for 2H-benzotriazole;4-ethenylphenol is C=Cc1ccc(O)cc1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;4-ethenylphenol?
The InChIKey is LNMKZGOWZHXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H5N3/c1-2-7-3-5-8(9)6-4-7;1-2-4-6-5(3-1)7-9-8-6/h2-6,9H,1H2;1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;4-ethenylphenol?
2H-benzotriazole;4-ethenylphenol has a molecular weight of 239.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;4-ethenylphenol is sourced from PubChem (CID 19604051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).