6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one

C10H9ClO4 — CID 71535773

IUPAC6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one
SMILESCC1(C)OC(=O)c2cc(Cl)c(O)cc2O1
InChIInChI=1S/C10H9ClO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3
InChIKeyUXRKEBBQOABWOV-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.33
Rot. Bonds

About 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one

6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one (PubChem CID 71535773) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one
PubChem CID71535773
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one
SMILESCC1(C)OC(=O)c2cc(Cl)c(O)cc2O1
InChIInChI=1S/C10H9ClO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3
InChIKeyUXRKEBBQOABWOV-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-tert-butyl-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one
CID 172614119
5-[(3-chloro-4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600374
5-(2-chlorophenyl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 102434881
2',7'-dichloro-3'-hydroxy-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane
CID 143870805
4-bromo-6-chloro-2,2-dimethyl-1,3-benzodioxol-5-ol
CID 84715015
5-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600345
6-[(2-chloropyrimidin-5-yl)methoxy]-2,2-dimethyl-1,3-benzodioxin-4-one
CID 177025368
5-(hydroxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11137577
5-[(4-chloro-2-hydroxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540867
2'-chloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 175430807
(3R)-7-chloro-8-hydroxy-3-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 139491644
5-(2-chlorophenyl)-2,2,6-trimethyl-1,3-dioxin-4-one
CID 19918951

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one?
The IUPAC name of 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one (CID 71535773) is 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one.
What is the SMILES notation for 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one?
The canonical SMILES for 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one is CC1(C)OC(=O)c2cc(Cl)c(O)cc2O1.
What is the InChIKey of 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one?
The InChIKey is UXRKEBBQOABWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3.
What are the key properties of 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one?
6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one has a molecular weight of 228.63 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one is sourced from PubChem (CID 71535773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).