2-(4-acetylphenoxy)-6-chlorobenzonitrile

C15H10ClNO2 — CID 2806037

IUPAC2-(4-acetylphenoxy)-6-chlorobenzonitrile
SMILESCC(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C15H10ClNO2/c1-10(18)11-5-7-12(8-6-11)19-15-4-2-3-14(16)13(15)9-17/h2-8H,1H3
InChIKeyHMYHNKPPAPFSQM-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-acetylphenoxy)-6-chlorobenzonitrile

2-(4-acetylphenoxy)-6-chlorobenzonitrile (PubChem CID 2806037) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-6-chlorobenzonitrile
PubChem CID2806037
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-(4-acetylphenoxy)-6-chlorobenzonitrile
SMILESCC(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C15H10ClNO2/c1-10(18)11-5-7-12(8-6-11)19-15-4-2-3-14(16)13(15)9-17/h2-8H,1H3
InChIKeyHMYHNKPPAPFSQM-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-6-chlorobenzonitrile?
The IUPAC name of 2-(4-acetylphenoxy)-6-chlorobenzonitrile (CID 2806037) is 2-(4-acetylphenoxy)-6-chlorobenzonitrile.
What is the SMILES notation for 2-(4-acetylphenoxy)-6-chlorobenzonitrile?
The canonical SMILES for 2-(4-acetylphenoxy)-6-chlorobenzonitrile is CC(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-6-chlorobenzonitrile?
The InChIKey is HMYHNKPPAPFSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-10(18)11-5-7-12(8-6-11)19-15-4-2-3-14(16)13(15)9-17/h2-8H,1H3.
What are the key properties of 2-(4-acetylphenoxy)-6-chlorobenzonitrile?
2-(4-acetylphenoxy)-6-chlorobenzonitrile 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 2-(4-acetylphenoxy)-6-chlorobenzonitrile is sourced from PubChem (CID 2806037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).