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

C8H6ClNO3 — CID 3008085

IUPAC8-chloro-4-hydroxy-1,4-benzoxazin-3-one
SMILESO=C1COc2c(Cl)cccc2N1O
InChIInChI=1S/C8H6ClNO3/c9-5-2-1-3-6-8(5)13-4-7(11)10(6)12/h1-3,12H,4H2
InChIKeyWSYPKJIPQMYNKZ-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.45
Rot. Bonds

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

8-chloro-4-hydroxy-1,4-benzoxazin-3-one (PubChem CID 3008085) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 8-chloro-4-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-chloro-4-hydroxy-1,4-benzoxazin-3-one
PubChem CID3008085
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name8-chloro-4-hydroxy-1,4-benzoxazin-3-one
SMILESO=C1COc2c(Cl)cccc2N1O
InChIInChI=1S/C8H6ClNO3/c9-5-2-1-3-6-8(5)13-4-7(11)10(6)12/h1-3,12H,4H2
InChIKeyWSYPKJIPQMYNKZ-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.45
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-4-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 8-chloro-4-hydroxy-1,4-benzoxazin-3-one (CID 3008085) is 8-chloro-4-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-chloro-4-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 8-chloro-4-hydroxy-1,4-benzoxazin-3-one is O=C1COc2c(Cl)cccc2N1O.
What is the InChIKey of 8-chloro-4-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is WSYPKJIPQMYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c9-5-2-1-3-6-8(5)13-4-7(11)10(6)12/h1-3,12H,4H2.
What are the key properties of 8-chloro-4-hydroxy-1,4-benzoxazin-3-one?
8-chloro-4-hydroxy-1,4-benzoxazin-3-one has a molecular weight of 199.59 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 3008085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).