1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone

C17H15FN4O3 — CID 7491001

IUPAC1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C17H15FN4O3/c1-24-15-7-6-11(9-16(15)25-2)14(23)10-22-20-17(19-21-22)12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3
InChIKeyPCOOMNNHHLDTNY-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.38
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone

1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone (PubChem CID 7491001) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
PubChem CID7491001
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C17H15FN4O3/c1-24-15-7-6-11(9-16(15)25-2)14(23)10-22-20-17(19-21-22)12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3
InChIKeyPCOOMNNHHLDTNY-UHFFFAOYSA-N
XLogP2.38
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone (CID 7491001) is 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone is COc1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is PCOOMNNHHLDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-24-15-7-6-11(9-16(15)25-2)14(23)10-22-20-17(19-21-22)12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone has a molecular weight of 342.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 7491001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).