4-acetyl-2-(3-chlorophenoxy)benzonitrile

C15H10ClNO2 — CID 146268738

IUPAC4-acetyl-2-(3-chlorophenoxy)benzonitrile
SMILESCC(=O)c1ccc(C#N)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C15H10ClNO2/c1-10(18)11-5-6-12(9-17)15(7-11)19-14-4-2-3-13(16)8-14/h2-8H,1H3
InChIKeyQYWSFDJGHRTUSG-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.21
Rot. Bonds3

About 4-acetyl-2-(3-chlorophenoxy)benzonitrile

4-acetyl-2-(3-chlorophenoxy)benzonitrile (PubChem CID 146268738) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-acetyl-2-(3-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-(3-chlorophenoxy)benzonitrile
PubChem CID146268738
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name4-acetyl-2-(3-chlorophenoxy)benzonitrile
SMILESCC(=O)c1ccc(C#N)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C15H10ClNO2/c1-10(18)11-5-6-12(9-17)15(7-11)19-14-4-2-3-13(16)8-14/h2-8H,1H3
InChIKeyQYWSFDJGHRTUSG-UHFFFAOYSA-N
XLogP4.21
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
3-(4-acetyl-2-chlorophenoxy)benzonitrile
CID 55131875
2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
CID 21487309
4-(3-acetylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
CID 4606659
4-chloro-2-phenoxybenzonitrile
CID 63093062
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
1-[3-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 79168562
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
2-(4-acetylphenoxy)benzene-1,3-dicarbonitrile
CID 2806212

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-(3-chlorophenoxy)benzonitrile?
The IUPAC name of 4-acetyl-2-(3-chlorophenoxy)benzonitrile (CID 146268738) is 4-acetyl-2-(3-chlorophenoxy)benzonitrile.
What is the SMILES notation for 4-acetyl-2-(3-chlorophenoxy)benzonitrile?
The canonical SMILES for 4-acetyl-2-(3-chlorophenoxy)benzonitrile is CC(=O)c1ccc(C#N)c(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 4-acetyl-2-(3-chlorophenoxy)benzonitrile?
The InChIKey is QYWSFDJGHRTUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-10(18)11-5-6-12(9-17)15(7-11)19-14-4-2-3-13(16)8-14/h2-8H,1H3.
What are the key properties of 4-acetyl-2-(3-chlorophenoxy)benzonitrile?
4-acetyl-2-(3-chlorophenoxy)benzonitrile has a molecular weight of 271.70 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-(3-chlorophenoxy)benzonitrile is sourced from PubChem (CID 146268738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).