2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C10H10ClNO3 — CID 10609360

IUPAC2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESO=C(CCl)N1CCOc2ccc(O)cc21
InChIInChI=1S/C10H10ClNO3/c11-6-10(14)12-3-4-15-9-2-1-7(13)5-8(9)12/h1-2,5,13H,3-4,6H2
InChIKeyRKYSLWAIRVCQPS-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.36
Rot. Bonds1

About 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 10609360) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID10609360
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESO=C(CCl)N1CCOc2ccc(O)cc21
InChIInChI=1S/C10H10ClNO3/c11-6-10(14)12-3-4-15-9-2-1-7(13)5-8(9)12/h1-2,5,13H,3-4,6H2
InChIKeyRKYSLWAIRVCQPS-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 10609360) is 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is O=C(CCl)N1CCOc2ccc(O)cc21.
What is the InChIKey of 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is RKYSLWAIRVCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-6-10(14)12-3-4-15-9-2-1-7(13)5-8(9)12/h1-2,5,13H,3-4,6H2.
What are the key properties of 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 227.65 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 10609360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).