1-(7-chloro-10H-phenoxazin-2-yl)ethanone

C14H10ClNO2 — CID 170632598

IUPAC1-(7-chloro-10H-phenoxazin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Nc1ccc(Cl)cc1O2
InChIInChI=1S/C14H10ClNO2/c1-8(17)9-2-5-13-12(6-9)16-11-4-3-10(15)7-14(11)18-13/h2-7,16H,1H3
InChIKeyKXJLJZHVXIJWIV-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.39
Rot. Bonds1

About 1-(7-chloro-10H-phenoxazin-2-yl)ethanone

1-(7-chloro-10H-phenoxazin-2-yl)ethanone (PubChem CID 170632598) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-(7-chloro-10H-phenoxazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-10H-phenoxazin-2-yl)ethanone
PubChem CID170632598
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name1-(7-chloro-10H-phenoxazin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Nc1ccc(Cl)cc1O2
InChIInChI=1S/C14H10ClNO2/c1-8(17)9-2-5-13-12(6-9)16-11-4-3-10(15)7-14(11)18-13/h2-7,16H,1H3
InChIKeyKXJLJZHVXIJWIV-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dichloro-10H-phenoxazine
CID 139887196
10H-phenoxazine-3,7-dicarbonyl chloride
CID 152711123
1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039243
8-chloro-2-hydroxy-5H-benzo[b][1,4]benzoxazepin-6-one
CID 71651718
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947636
1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039301
7-chloro-3,3-dimethyl-4H-1,4-benzoxazin-2-one
CID 115095195
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-methylbutanamide
CID 40947609
1-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-2-chloroethanone
CID 22623223
3-chloro-7-methyl-10H-phenoxazine;oxane-3,4-diol
CID 145273654
1-(7-aminodibenzo-p-dioxin-2-yl)ethanone
CID 159455740
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571351

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-10H-phenoxazin-2-yl)ethanone?
The IUPAC name of 1-(7-chloro-10H-phenoxazin-2-yl)ethanone (CID 170632598) is 1-(7-chloro-10H-phenoxazin-2-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-10H-phenoxazin-2-yl)ethanone?
The canonical SMILES for 1-(7-chloro-10H-phenoxazin-2-yl)ethanone is CC(=O)c1ccc2c(c1)Nc1ccc(Cl)cc1O2.
What is the InChIKey of 1-(7-chloro-10H-phenoxazin-2-yl)ethanone?
The InChIKey is KXJLJZHVXIJWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-8(17)9-2-5-13-12(6-9)16-11-4-3-10(15)7-14(11)18-13/h2-7,16H,1H3.
What are the key properties of 1-(7-chloro-10H-phenoxazin-2-yl)ethanone?
1-(7-chloro-10H-phenoxazin-2-yl)ethanone has a molecular weight of 259.69 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-10H-phenoxazin-2-yl)ethanone is sourced from PubChem (CID 170632598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).