2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile

C11H10ClNO3 — CID 107508195

IUPAC2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
SMILESCOCC(=O)COc1cccc(Cl)c1C#N
InChIInChI=1S/C11H10ClNO3/c1-15-6-8(14)7-16-11-4-2-3-10(12)9(11)5-13/h2-4H,6-7H2,1H3
InChIKeyAOJVYQFRRNDNKN-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.81
Rot. Bonds5

About 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile

2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile (PubChem CID 107508195) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
PubChem CID107508195
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
SMILESCOCC(=O)COc1cccc(Cl)c1C#N
InChIInChI=1S/C11H10ClNO3/c1-15-6-8(14)7-16-11-4-2-3-10(12)9(11)5-13/h2-4H,6-7H2,1H3
InChIKeyAOJVYQFRRNDNKN-UHFFFAOYSA-N
XLogP1.81
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
2-(3-chloro-2-cyanophenoxy)-N-ethyl-N-methylacetamide
CID 79035646
2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323687
2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709
2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
CID 79031984
4-(3-chloro-2-cyanophenoxy)-N-methylbutanamide
CID 113277276
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile (CID 107508195) is 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile is COCC(=O)COc1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile?
The InChIKey is AOJVYQFRRNDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-15-6-8(14)7-16-11-4-2-3-10(12)9(11)5-13/h2-4H,6-7H2,1H3.
What are the key properties of 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile?
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile has a molecular weight of 239.66 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile is sourced from PubChem (CID 107508195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).