6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione

C10H12O4 — CID 21123480

IUPAC6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione
SMILESCOC1CC(=O)C2=C(OC(C)C2)C1=O
InChIInChI=1S/C10H12O4/c1-5-3-6-7(11)4-8(13-2)9(12)10(6)14-5/h5,8H,3-4H2,1-2H3
InChIKeyKVZSXPUMJHUOCK-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.61
Rot. Bonds1

About 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione

6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione (PubChem CID 21123480) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione.

Molecular Properties

Compound Name6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione
PubChem CID21123480
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione
SMILESCOC1CC(=O)C2=C(OC(C)C2)C1=O
InChIInChI=1S/C10H12O4/c1-5-3-6-7(11)4-8(13-2)9(12)10(6)14-5/h5,8H,3-4H2,1-2H3
InChIKeyKVZSXPUMJHUOCK-UHFFFAOYSA-N
XLogP0.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydrobenzofuran-3,4(2H,5H)-dione
CID 908930
2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-one
CID 12933200
(4-Oxo-2,3,4,5,6,7-hexahydro-benzofuran-2-yl)-acetic acid ethyl ester
CID 21859266
2-butyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 132536555
1-(2,3,4,5,6,7-Hexahydro-1-benzofuran-2-yl)ethanone
CID 117722669
2-(2-oxopropyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 11458221
4,5,6,7-Tetrahydro-1-benzofuran-3-one
CID 12326209
3,4,5,6-tetrahydro-2H-1-benzofuran-7-one
CID 17799097
2-(2-Oxopropyl)-4,5,6,7-tetrahydro-1-benzofuran-3-one
CID 54671484
Methyl 2-(4-oxo-2,3,4,5,6,7-hexahydro-1-benzofuran-2-yl)acetate
CID 56589759
2-Propanoyl-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one
CID 71415658
methyl 2-[(2S)-4-oxo-3,5,6,7-tetrahydro-2H-1-benzofuran-2-yl]acetate
CID 96581520

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione?
The IUPAC name of 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione (CID 21123480) is 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione.
What is the SMILES notation for 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione?
The canonical SMILES for 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione is COC1CC(=O)C2=C(OC(C)C2)C1=O.
What is the InChIKey of 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione?
The InChIKey is KVZSXPUMJHUOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-3-6-7(11)4-8(13-2)9(12)10(6)14-5/h5,8H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione?
6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione has a molecular weight of 196.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-2,3,5,6-tetrahydro-1-benzofuran-4,7-dione is sourced from PubChem (CID 21123480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).