4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one

C14H18O6 — CID 139807141

IUPAC4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one
SMILESCOc1c(OC)c(OC)c2c(c1OC)OC(C)(C)C2=O
InChIInChI=1S/C14H18O6/c1-14(2)13(15)7-8(16-3)10(17-4)12(19-6)11(18-5)9(7)20-14/h1-6H3
InChIKeyIXNWTTVPOMPQKP-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.07
Rot. Bonds4

About 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one

4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one (PubChem CID 139807141) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one
PubChem CID139807141
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one
SMILESCOc1c(OC)c(OC)c2c(c1OC)OC(C)(C)C2=O
InChIInChI=1S/C14H18O6/c1-14(2)13(15)7-8(16-3)10(17-4)12(19-6)11(18-5)9(7)20-14/h1-6H3
InChIKeyIXNWTTVPOMPQKP-UHFFFAOYSA-N
XLogP2.07
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6-tetramethyl-1-benzofuran-3-one
CID 66760929
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
5-bromo-2,2,4,6,7-pentamethyl-1-benzofuran-3-one
CID 22935579
2-(3,4-dimethoxyphenyl)-2,5,6,7,8-pentamethoxy-3H-chromen-4-one
CID 139980177
7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one
CID 134093416
(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamic acid
CID 23114396
3-methoxy-6,6-dimethylpyran-2,5-dione
CID 130027764
4-cyclopropyl-2,2,6,7-tetramethyl-1-benzofuran-3-one
CID 174798410
tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate
CID 91190986
5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3-one
CID 66760383
1-(4-ethoxy-3-hydroxy-5,7,8-trimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone
CID 15383043
4-bromo-5-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
CID 59354799

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one?
The IUPAC name of 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one (CID 139807141) is 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one.
What is the SMILES notation for 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one?
The canonical SMILES for 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one is COc1c(OC)c(OC)c2c(c1OC)OC(C)(C)C2=O.
What is the InChIKey of 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one?
The InChIKey is IXNWTTVPOMPQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-14(2)13(15)7-8(16-3)10(17-4)12(19-6)11(18-5)9(7)20-14/h1-6H3.
What are the key properties of 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one?
4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one has a molecular weight of 282.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethoxy-2,2-dimethyl-1-benzofuran-3-one is sourced from PubChem (CID 139807141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).