1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone

C17H16N4O3 — CID 921890

IUPAC1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C17H16N4O3/c1-23-15-9-8-13(10-16(15)24-2)14(22)11-21-19-17(18-20-21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyBRJNUUJSIZVJCD-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.24
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 921890) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID921890
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C17H16N4O3/c1-23-15-9-8-13(10-16(15)24-2)14(22)11-21-19-17(18-20-21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyBRJNUUJSIZVJCD-UHFFFAOYSA-N
XLogP2.24
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(3-Hydroxy-2-methoxy-phenyl)-tetrazol-2-yl]-propionic acid 2-(4-methoxy-phenyl)-2-oxo-ethyl ester
CID 646365
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-Benzyl-5-(3,4-dimethoxy-phenyl)-2H-tetrazole
CID 842833
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 921890) is 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone is COc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is BRJNUUJSIZVJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-15-9-8-13(10-16(15)24-2)14(22)11-21-19-17(18-20-21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(3,4-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 324.34 g/mol, XLogP of 2.24, 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-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 921890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).