3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one

C10H10O5 — CID 3478799

IUPAC3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2O
InChIInChI=1S/C10H10O5/c1-13-6-4-3-5-7(8(6)14-2)10(12)15-9(5)11/h3-4,9,11H,1-2H3
InChIKeyBYISGJCPRCCOPJ-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.87
Rot. Bonds2

About 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one

3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one (PubChem CID 3478799) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
PubChem CID3478799
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2O
InChIInChI=1S/C10H10O5/c1-13-6-4-3-5-7(8(6)14-2)10(12)15-9(5)11/h3-4,9,11H,1-2H3
InChIKeyBYISGJCPRCCOPJ-UHFFFAOYSA-N
XLogP0.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3,6,7-trimethoxy-3H-2-benzofuran-1-one
CID 692411
(3R)-6,7-dimethoxy-3-(2-oxopropyl)-3H-2-benzofuran-1-one
CID 928822
(3S)-6,7-dimethoxy-3-morpholin-4-ium-4-yl-3H-2-benzofuran-1-one
CID 7038493
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
(3S)-6,7-dimethoxy-3-propoxy-3H-2-benzofuran-1-one
CID 2057012
(3R)-6,7-dimethoxy-3-propoxy-3H-2-benzofuran-1-one
CID 2057011
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3807565
(3R)-3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 949985
4-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-methyl-1,2-dihydropyrazol-3-one
CID 40920868
(3R)-3-(2-hydroxy-6-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657778
3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
3-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3872711

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one (CID 3478799) is 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2O.
What is the InChIKey of 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one?
The InChIKey is BYISGJCPRCCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-13-6-4-3-5-7(8(6)14-2)10(12)15-9(5)11/h3-4,9,11H,1-2H3.
What are the key properties of 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one?
3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one has a molecular weight of 210.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 3478799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).