benzotriazol-1-yl-(3-methoxyphenyl)methanone

C14H11N3O2 — CID 5146207

IUPACbenzotriazol-1-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2nnc3ccccc32)c1
InChIInChI=1S/C14H11N3O2/c1-19-11-6-4-5-10(9-11)14(18)17-13-8-3-2-7-12(13)15-16-17/h2-9H,1H3
InChIKeyOPGPJGUCLHKVPU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.13
Rot. Bonds2

About benzotriazol-1-yl-(3-methoxyphenyl)methanone

benzotriazol-1-yl-(3-methoxyphenyl)methanone (PubChem CID 5146207) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is benzotriazol-1-yl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(3-methoxyphenyl)methanone
PubChem CID5146207
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namebenzotriazol-1-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2nnc3ccccc32)c1
InChIInChI=1S/C14H11N3O2/c1-19-11-6-4-5-10(9-11)14(18)17-13-8-3-2-7-12(13)15-16-17/h2-9H,1H3
InChIKeyOPGPJGUCLHKVPU-UHFFFAOYSA-N
XLogP2.13
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(3-methoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(3-methoxyphenyl)methanone (CID 5146207) is benzotriazol-1-yl-(3-methoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(3-methoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)n2nnc3ccccc32)c1.
What is the InChIKey of benzotriazol-1-yl-(3-methoxyphenyl)methanone?
The InChIKey is OPGPJGUCLHKVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-11-6-4-5-10(9-11)14(18)17-13-8-3-2-7-12(13)15-16-17/h2-9H,1H3.
What are the key properties of benzotriazol-1-yl-(3-methoxyphenyl)methanone?
benzotriazol-1-yl-(3-methoxyphenyl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 5146207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).