1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone

C12H14N4O3 — CID 107063556

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOc1ccc(OC)c(C(=O)Cc2nnn(C)n2)c1
InChIInChI=1S/C12H14N4O3/c1-16-14-12(13-15-16)7-10(17)9-6-8(18-2)4-5-11(9)19-3/h4-6H,7H2,1-3H3
InChIKeyJFDITBCFGBQVRZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.65
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063556) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063556
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOc1ccc(OC)c(C(=O)Cc2nnn(C)n2)c1
InChIInChI=1S/C12H14N4O3/c1-16-14-12(13-15-16)7-10(17)9-6-8(18-2)4-5-11(9)19-3/h4-6H,7H2,1-3H3
InChIKeyJFDITBCFGBQVRZ-UHFFFAOYSA-N
XLogP0.65
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063206
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 114979273
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(5-bromo-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063415
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone
CID 116832795
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063556) is 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone is COc1ccc(OC)c(C(=O)Cc2nnn(C)n2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is JFDITBCFGBQVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16-14-12(13-15-16)7-10(17)9-6-8(18-2)4-5-11(9)19-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 262.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).