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

C10H10ClNO3 — CID 3008087

IUPAC8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1Oc2c(Cl)cccc2N(O)C1=O
InChIInChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-3-4-6(11)9(7)15-8/h3-5,8,14H,2H2,1H3
InChIKeyRNCNJTOEZJHMGO-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.23
Rot. Bonds1

About 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one

8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one (PubChem CID 3008087) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
PubChem CID3008087
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1Oc2c(Cl)cccc2N(O)C1=O
InChIInChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-3-4-6(11)9(7)15-8/h3-5,8,14H,2H2,1H3
InChIKeyRNCNJTOEZJHMGO-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one (CID 3008087) is 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one is CCC1Oc2c(Cl)cccc2N(O)C1=O.
What is the InChIKey of 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is RNCNJTOEZJHMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-8-10(13)12(14)7-5-3-4-6(11)9(7)15-8/h3-5,8,14H,2H2,1H3.
What are the key properties of 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one?
8-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 8-chloro-2-ethyl-4-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 3008087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).