2-chloro-6-phenacyloxybenzonitrile

C15H10ClNO2 — CID 113277419

IUPAC2-chloro-6-phenacyloxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OCC(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO2/c16-13-7-4-8-15(12(13)9-17)19-10-14(18)11-5-2-1-3-6-11/h1-8H,10H2
InChIKeySLEFEJPVWUHSCL-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-6-phenacyloxybenzonitrile

2-chloro-6-phenacyloxybenzonitrile (PubChem CID 113277419) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-chloro-6-phenacyloxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-phenacyloxybenzonitrile
PubChem CID113277419
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-chloro-6-phenacyloxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OCC(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO2/c16-13-7-4-8-15(12(13)9-17)19-10-14(18)11-5-2-1-3-6-11/h1-8H,10H2
InChIKeySLEFEJPVWUHSCL-UHFFFAOYSA-N
XLogP3.47
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-(3-chloro-2-cyanophenoxy)-N-ethyl-N-methylacetamide
CID 79035646
2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
CID 79031984
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenacyloxybenzonitrile?
The IUPAC name of 2-chloro-6-phenacyloxybenzonitrile (CID 113277419) is 2-chloro-6-phenacyloxybenzonitrile.
What is the SMILES notation for 2-chloro-6-phenacyloxybenzonitrile?
The canonical SMILES for 2-chloro-6-phenacyloxybenzonitrile is N#Cc1c(Cl)cccc1OCC(=O)c1ccccc1.
What is the InChIKey of 2-chloro-6-phenacyloxybenzonitrile?
The InChIKey is SLEFEJPVWUHSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-13-7-4-8-15(12(13)9-17)19-10-14(18)11-5-2-1-3-6-11/h1-8H,10H2.
What are the key properties of 2-chloro-6-phenacyloxybenzonitrile?
2-chloro-6-phenacyloxybenzonitrile has a molecular weight of 271.70 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenacyloxybenzonitrile is sourced from PubChem (CID 113277419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).