1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone

C11H11ClN4O2 — CID 107047688

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H11ClN4O2/c1-16-14-11(13-15-16)6-9(17)8-4-3-7(12)5-10(8)18-2/h3-5H,6H2,1-2H3
InChIKeyWAQLTKMOYCCAFE-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047688) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047688
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H11ClN4O2/c1-16-14-11(13-15-16)6-9(17)8-4-3-7(12)5-10(8)18-2/h3-5H,6H2,1-2H3
InChIKeyWAQLTKMOYCCAFE-UHFFFAOYSA-N
XLogP1.30
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
1-(4-chloro-2-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979928
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
1-(5-chlorothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063611
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047688) is 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is WAQLTKMOYCCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-16-14-11(13-15-16)6-9(17)8-4-3-7(12)5-10(8)18-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 266.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).