5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one

C10H10O5 — CID 156582406

IUPAC5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
SMILESCOc1c(O)c(C)c2c(c1O)C(=O)OC2
InChIInChI=1S/C10H10O5/c1-4-5-3-15-10(13)6(5)8(12)9(14-2)7(4)11/h11-12H,3H2,1-2H3
InChIKeyIQSQGZXOMFBDKJ-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.09
Rot. Bonds1

About 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one

5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one (PubChem CID 156582406) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
PubChem CID156582406
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
SMILESCOc1c(O)c(C)c2c(c1O)C(=O)OC2
InChIInChI=1S/C10H10O5/c1-4-5-3-15-10(13)6(5)8(12)9(14-2)7(4)11/h11-12H,3H2,1-2H3
InChIKeyIQSQGZXOMFBDKJ-UHFFFAOYSA-N
XLogP1.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
CID 19901298
7-hydroxy-5-methoxy-4-methyl-6-(3-methylbut-2-enyl)-3H-2-benzofuran-1-one
CID 11118869
7-hydroxy-6-[(E)-4-iodo-3-methylbut-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one
CID 142962688
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
hydroxy-[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]-oxophosphanium
CID 72563973
6-[(E)-4-dimethylphosphoryl-3-methylbut-2-enyl]-7-hydroxy-5-methoxy-4-methyl-3H-2-benzofuran-1-one
CID 59794479
7-hydroxy-5-methoxy-4-methyl-6-[(E)-3-methyl-6-oxohept-2-enyl]-3H-2-benzofuran-1-one
CID 58607186
4-methoxy-5-methyl-6H-furo[3,4-g][1]benzofuran-8-one
CID 11687183
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylhex-4-enoic acid
CID 67735201
zinc bis((E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate)
CID 11411441
azane;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
CID 68729941
(5-ethyl-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl) formate
CID 167079664

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one (CID 156582406) is 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one is COc1c(O)c(C)c2c(c1O)C(=O)OC2.
What is the InChIKey of 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one?
The InChIKey is IQSQGZXOMFBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-4-5-3-15-10(13)6(5)8(12)9(14-2)7(4)11/h11-12H,3H2,1-2H3.
What are the key properties of 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one?
5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 210.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 156582406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).