2-chloro-1-phenoxazin-10-ylethanone

C14H10ClNO2 — CID 10038204

IUPAC2-chloro-1-phenoxazin-10-ylethanone
SMILESO=C(CCl)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H10ClNO2/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2
InChIKeyKHISCTNTKATZDF-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.70
Rot. Bonds1

About 2-chloro-1-phenoxazin-10-ylethanone

2-chloro-1-phenoxazin-10-ylethanone (PubChem CID 10038204) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-1-phenoxazin-10-ylethanone.

Molecular Properties

Compound Name2-chloro-1-phenoxazin-10-ylethanone
PubChem CID10038204
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-chloro-1-phenoxazin-10-ylethanone
SMILESO=C(CCl)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H10ClNO2/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2
InChIKeyKHISCTNTKATZDF-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.70
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-chloro-1-phenoxazin-10-ylethanone?
The IUPAC name of 2-chloro-1-phenoxazin-10-ylethanone (CID 10038204) is 2-chloro-1-phenoxazin-10-ylethanone.
What is the SMILES notation for 2-chloro-1-phenoxazin-10-ylethanone?
The canonical SMILES for 2-chloro-1-phenoxazin-10-ylethanone is O=C(CCl)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-chloro-1-phenoxazin-10-ylethanone?
The InChIKey is KHISCTNTKATZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2.
What are the key properties of 2-chloro-1-phenoxazin-10-ylethanone?
2-chloro-1-phenoxazin-10-ylethanone has a molecular weight of 259.69 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenoxazin-10-ylethanone is sourced from PubChem (CID 10038204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).