benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone

C15H13N3O3 — CID 771947

IUPACbenzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O3/c1-20-12-8-5-9-13(21-2)14(12)15(19)18-11-7-4-3-6-10(11)16-17-18/h3-9H,1-2H3
InChIKeyBZAKTPWWEXONSV-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.14
Rot. Bonds3

About benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone

benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone (PubChem CID 771947) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone
PubChem CID771947
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namebenzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O3/c1-20-12-8-5-9-13(21-2)14(12)15(19)18-11-7-4-3-6-10(11)16-17-18/h3-9H,1-2H3
InChIKeyBZAKTPWWEXONSV-UHFFFAOYSA-N
XLogP2.14
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
CID 743712
Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 743877
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
1-(2,6-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 897075
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
2,6-dimethoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
CID 3399274
Benzotriazol-1-yl-(4-butoxyphenyl)methanone
CID 4936110
(5-Fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 11065065
ST50775820
CID 5341545
Benzotriazol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 760115

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone (CID 771947) is benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone?
The InChIKey is BZAKTPWWEXONSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-12-8-5-9-13(21-2)14(12)15(19)18-11-7-4-3-6-10(11)16-17-18/h3-9H,1-2H3.
What are the key properties of benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone?
benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone has a molecular weight of 283.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 771947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).