8-methoxy-1,3-benzodioxin-4-one

C9H8O4 — CID 141355094

IUPAC8-methoxy-1,3-benzodioxin-4-one
SMILESCOc1cccc2c1OCOC2=O
InChIInChI=1S/C9H8O4/c1-11-7-4-2-3-6-8(7)12-5-13-9(6)10/h2-4H,5H2,1H3
InChIKeyVQFKNHYWWZELLE-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.20
Rot. Bonds1

About 8-methoxy-1,3-benzodioxin-4-one

8-methoxy-1,3-benzodioxin-4-one (PubChem CID 141355094) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 8-methoxy-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name8-methoxy-1,3-benzodioxin-4-one
PubChem CID141355094
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name8-methoxy-1,3-benzodioxin-4-one
SMILESCOc1cccc2c1OCOC2=O
InChIInChI=1S/C9H8O4/c1-11-7-4-2-3-6-8(7)12-5-13-9(6)10/h2-4H,5H2,1H3
InChIKeyVQFKNHYWWZELLE-UHFFFAOYSA-N
XLogP1.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3,8-dimethoxy-2,3-dihydrochromen-4-one
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7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
CID 14630603
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
CID 10922937
(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one
CID 10685335
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 58733109
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
9-hydroxy-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-12-one
CID 135809749
4-methoxy-1,3-benzoxathiol-2-one
CID 12563343

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,3-benzodioxin-4-one?
The IUPAC name of 8-methoxy-1,3-benzodioxin-4-one (CID 141355094) is 8-methoxy-1,3-benzodioxin-4-one.
What is the SMILES notation for 8-methoxy-1,3-benzodioxin-4-one?
The canonical SMILES for 8-methoxy-1,3-benzodioxin-4-one is COc1cccc2c1OCOC2=O.
What is the InChIKey of 8-methoxy-1,3-benzodioxin-4-one?
The InChIKey is VQFKNHYWWZELLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c1-11-7-4-2-3-6-8(7)12-5-13-9(6)10/h2-4H,5H2,1H3.
What are the key properties of 8-methoxy-1,3-benzodioxin-4-one?
8-methoxy-1,3-benzodioxin-4-one has a molecular weight of 180.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,3-benzodioxin-4-one is sourced from PubChem (CID 141355094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).