8-methoxy-4-methyl-4H-isochromene-1,3-dione

C11H10O4 — CID 11790367

IUPAC8-methoxy-4-methyl-4H-isochromene-1,3-dione
SMILESCOc1cccc2c1C(=O)OC(=O)C2C
InChIInChI=1S/C11H10O4/c1-6-7-4-3-5-8(14-2)9(7)11(13)15-10(6)12/h3-6H,1-2H3
InChIKeySRTUDHDLZRUKKM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.50
Rot. Bonds1

About 8-methoxy-4-methyl-4H-isochromene-1,3-dione

8-methoxy-4-methyl-4H-isochromene-1,3-dione (PubChem CID 11790367) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 8-methoxy-4-methyl-4H-isochromene-1,3-dione.

Molecular Properties

Compound Name8-methoxy-4-methyl-4H-isochromene-1,3-dione
PubChem CID11790367
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name8-methoxy-4-methyl-4H-isochromene-1,3-dione
SMILESCOc1cccc2c1C(=O)OC(=O)C2C
InChIInChI=1S/C11H10O4/c1-6-7-4-3-5-8(14-2)9(7)11(13)15-10(6)12/h3-6H,1-2H3
InChIKeySRTUDHDLZRUKKM-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-8-methoxy-4H-isochromene-1,3-dione
CID 121010360
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CID 134845453
(3R)-7-hydroxy-3-methyl-3H-1-benzofuran-2-one
CID 124584192
(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide
CID 11613087
(3R,4S)-4-bromo-8-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10248122
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195
(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
CID 820535
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567
3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-4H-isochromene-1,3-dione?
The IUPAC name of 8-methoxy-4-methyl-4H-isochromene-1,3-dione (CID 11790367) is 8-methoxy-4-methyl-4H-isochromene-1,3-dione.
What is the SMILES notation for 8-methoxy-4-methyl-4H-isochromene-1,3-dione?
The canonical SMILES for 8-methoxy-4-methyl-4H-isochromene-1,3-dione is COc1cccc2c1C(=O)OC(=O)C2C.
What is the InChIKey of 8-methoxy-4-methyl-4H-isochromene-1,3-dione?
The InChIKey is SRTUDHDLZRUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-7-4-3-5-8(14-2)9(7)11(13)15-10(6)12/h3-6H,1-2H3.
What are the key properties of 8-methoxy-4-methyl-4H-isochromene-1,3-dione?
8-methoxy-4-methyl-4H-isochromene-1,3-dione has a molecular weight of 206.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-4H-isochromene-1,3-dione is sourced from PubChem (CID 11790367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).