1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone

C14H10ClNO2 — CID 56612321

IUPAC1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClNO2/c15-11-4-6-12(7-5-11)18-13-3-1-2-10(8-13)14(17)9-16/h1-9,16H/b16-9+
InChIKeyWBZUFELNEGBVDN-CXUHLZMHSA-N
MW259.69 g/mol
LogP3.96
Rot. Bonds4

About 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone

1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone (PubChem CID 56612321) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone
PubChem CID56612321
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClNO2/c15-11-4-6-12(7-5-11)18-13-3-1-2-10(8-13)14(17)9-16/h1-9,16H/b16-9+
InChIKeyWBZUFELNEGBVDN-CXUHLZMHSA-N
XLogP3.96
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone?
The IUPAC name of 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone (CID 56612321) is 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone?
The canonical SMILES for 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone is [H]/N=C/C(=O)c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone?
The InChIKey is WBZUFELNEGBVDN-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-11-4-6-12(7-5-11)18-13-3-1-2-10(8-13)14(17)9-16/h1-9,16H/b16-9+.
What are the key properties of 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone?
1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone has a molecular weight of 259.69 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone is sourced from PubChem (CID 56612321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).