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

C17H15FN4O3 — CID 7713200

IUPAC1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C17H15FN4O3/c1-24-15-8-5-12(9-16(15)25-2)14(23)10-22-20-17(19-21-22)11-3-6-13(18)7-4-11/h3-9H,10H2,1-2H3
InChIKeyDFGSNEDJTPSKJH-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.38
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone (PubChem CID 7713200) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
PubChem CID7713200
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C17H15FN4O3/c1-24-15-8-5-12(9-16(15)25-2)14(23)10-22-20-17(19-21-22)11-3-6-13(18)7-4-11/h3-9H,10H2,1-2H3
InChIKeyDFGSNEDJTPSKJH-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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Related Compounds

1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 649736
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
CID 650134
3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide
CID 1166653
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 2550922
2-(Difluoromethyl)-5-[4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722330
Benzaldehyde, 4-hydroxy-3-methoxy-5-((5-phenyl-2H-tetrazol-2-yl)methyl)-
CID 59805
2-[5-(3,4-dimethoxyphenyl)-2H-tetraazol-2-yl]-N'-(4-methoxybenzoyl)acetohydrazide
CID 1164699
1-(2,5-Dimethoxy-phenyl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 644397
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-(4-methoxy-phenyl)-ethanone
CID 645312
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-propoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 646461
2-[5-[4-(4-Methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
CID 1169419

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone (CID 7713200) is 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone is COc1ccc(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is DFGSNEDJTPSKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-24-15-8-5-12(9-16(15)25-2)14(23)10-22-20-17(19-21-22)11-3-6-13(18)7-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[5-(4-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-(4-fluorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 7713200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).