2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone

C14H11N3O2 — CID 152779914

IUPAC2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3n[nH]nc23)cc1
InChIInChI=1S/C14H11N3O2/c1-19-10-7-5-9(6-8-10)14(18)11-3-2-4-12-13(11)16-17-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeySLMCWEUYKUYVAV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.20
Rot. Bonds3

About 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone

2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone (PubChem CID 152779914) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone
PubChem CID152779914
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3n[nH]nc23)cc1
InChIInChI=1S/C14H11N3O2/c1-19-10-7-5-9(6-8-10)14(18)11-3-2-4-12-13(11)16-17-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeySLMCWEUYKUYVAV-UHFFFAOYSA-N
XLogP2.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
1H-indol-7-yl-(4-methoxyphenyl)methanone
CID 141393759
azane;2H-benzotriazole-4-carboxylic acid;silver
CID 173422374
zinc bis(2H-benzotriazole-4-carboxylate)
CID 157421102
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 90646653
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)phenyl]-2-methoxyacetate
CID 141101425
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone (CID 152779914) is 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc3n[nH]nc23)cc1.
What is the InChIKey of 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone?
The InChIKey is SLMCWEUYKUYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-10-7-5-9(6-8-10)14(18)11-3-2-4-12-13(11)16-17-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone?
2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 152779914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).