2,2-dichloro-1-phenoxazin-10-ylethanone

C14H9Cl2NO2 — CID 127028950

IUPAC2,2-dichloro-1-phenoxazin-10-ylethanone
SMILESO=C(C(Cl)Cl)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H9Cl2NO2/c15-13(16)14(18)17-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)17/h1-8,13H
InChIKeyOMJFZRRQGLAWEF-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.26
Rot. Bonds1

About 2,2-dichloro-1-phenoxazin-10-ylethanone

2,2-dichloro-1-phenoxazin-10-ylethanone (PubChem CID 127028950) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2,2-dichloro-1-phenoxazin-10-ylethanone.

Molecular Properties

Compound Name2,2-dichloro-1-phenoxazin-10-ylethanone
PubChem CID127028950
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name2,2-dichloro-1-phenoxazin-10-ylethanone
SMILESO=C(C(Cl)Cl)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H9Cl2NO2/c15-13(16)14(18)17-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)17/h1-8,13H
InChIKeyOMJFZRRQGLAWEF-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-phenoxazin-10-ylethanone?
The IUPAC name of 2,2-dichloro-1-phenoxazin-10-ylethanone (CID 127028950) is 2,2-dichloro-1-phenoxazin-10-ylethanone.
What is the SMILES notation for 2,2-dichloro-1-phenoxazin-10-ylethanone?
The canonical SMILES for 2,2-dichloro-1-phenoxazin-10-ylethanone is O=C(C(Cl)Cl)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2,2-dichloro-1-phenoxazin-10-ylethanone?
The InChIKey is OMJFZRRQGLAWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-13(16)14(18)17-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)17/h1-8,13H.
What are the key properties of 2,2-dichloro-1-phenoxazin-10-ylethanone?
2,2-dichloro-1-phenoxazin-10-ylethanone has a molecular weight of 294.14 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-phenoxazin-10-ylethanone is sourced from PubChem (CID 127028950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).