7-(2-bromoethoxy)phenoxazin-3-one

C14H10BrNO3 — CID 56655742

IUPAC7-(2-bromoethoxy)phenoxazin-3-one
SMILESO=c1ccc2nc3ccc(OCCBr)cc3oc-2c1
InChIInChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
InChIKeyLAWJZLFGJSXSSJ-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.07
Rot. Bonds3

About 7-(2-bromoethoxy)phenoxazin-3-one

7-(2-bromoethoxy)phenoxazin-3-one (PubChem CID 56655742) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 7-(2-bromoethoxy)phenoxazin-3-one.

Molecular Properties

Compound Name7-(2-bromoethoxy)phenoxazin-3-one
PubChem CID56655742
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name7-(2-bromoethoxy)phenoxazin-3-one
SMILESO=c1ccc2nc3ccc(OCCBr)cc3oc-2c1
InChIInChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
InChIKeyLAWJZLFGJSXSSJ-UHFFFAOYSA-N
XLogP3.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Resorufin
CID 69462
Resazurin
CID 11077
Phenoxazinone
CID 114834
Sodium resazurin
CID 112939
7-Methoxyresorufin
CID 119220
7-Ethoxyresorufin
CID 3294
Benzyloxyresorufin
CID 114982
Pentoxyresorufin
CID 107683
3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one
CID 195402
Resorufin acetate
CID 3080579
7-hydroxy-3h-phenoxazin-3-one, sodium salt
CID 23693100
MAO detector Resorufin-R1
CID 162657861

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromoethoxy)phenoxazin-3-one?
The IUPAC name of 7-(2-bromoethoxy)phenoxazin-3-one (CID 56655742) is 7-(2-bromoethoxy)phenoxazin-3-one.
What is the SMILES notation for 7-(2-bromoethoxy)phenoxazin-3-one?
The canonical SMILES for 7-(2-bromoethoxy)phenoxazin-3-one is O=c1ccc2nc3ccc(OCCBr)cc3oc-2c1.
What is the InChIKey of 7-(2-bromoethoxy)phenoxazin-3-one?
The InChIKey is LAWJZLFGJSXSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2.
What are the key properties of 7-(2-bromoethoxy)phenoxazin-3-one?
7-(2-bromoethoxy)phenoxazin-3-one has a molecular weight of 320.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoethoxy)phenoxazin-3-one is sourced from PubChem (CID 56655742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).