benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone

C15H13N3O3 — CID 743712

IUPACbenzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)n2nnc3ccccc32)c1
InChIInChI=1S/C15H13N3O3/c1-20-11-7-10(8-12(9-11)21-2)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-9H,1-2H3
InChIKeyFLQDVGKWMLKXAW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.14
Rot. Bonds3

About benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone

benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 743712) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID743712
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namebenzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)n2nnc3ccccc32)c1
InChIInChI=1S/C15H13N3O3/c1-20-11-7-10(8-12(9-11)21-2)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-9H,1-2H3
InChIKeyFLQDVGKWMLKXAW-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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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone (CID 743712) is benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)n2nnc3ccccc32)c1.
What is the InChIKey of benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is FLQDVGKWMLKXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-11-7-10(8-12(9-11)21-2)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-9H,1-2H3.
What are the key properties of benzotriazol-1-yl-(3,5-dimethoxyphenyl)methanone?
benzotriazol-1-yl-(3,5-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-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 743712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).