6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one

C10H10ClNO3 — CID 46183610

IUPAC6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(Cl)cc2N(O)C1=O
InChIInChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-6(11)3-4-9(7)15-8/h3-5,8,14H,2H2,1H3
InChIKeyXQGOTDCLNUXWBR-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.23
Rot. Bonds1

About 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one

6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one (PubChem CID 46183610) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
PubChem CID46183610
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(Cl)cc2N(O)C1=O
InChIInChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-6(11)3-4-9(7)15-8/h3-5,8,14H,2H2,1H3
InChIKeyXQGOTDCLNUXWBR-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one (CID 46183610) is 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one is CCC1Oc2ccc(Cl)cc2N(O)C1=O.
What is the InChIKey of 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is XQGOTDCLNUXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-6(11)3-4-9(7)15-8/h3-5,8,14H,2H2,1H3.
What are the key properties of 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one has a molecular weight of 227.65 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 46183610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).