4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one

C51H42O17 — CID 160707353

IUPAC4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
SMILESCOc1c(C(C)=O)c(O)c(C)c2occc12.COc1c2ccoc2c(C)c2oc(C)cc(=O)c12.Cc1cc(=O)c2c(O)c3ccoc3c(C)c2o1.Cc1cc(=O)c2c(O)c3ccoc3c(O)c2o1
InChIInChI=1S/C14H12O4.C13H10O4.C12H8O5.C12H12O4/c1-7-6-10(15)11-13(18-7)8(2)12-9(4-5-17-12)14(11)16-3;1-6-5-9(14)10-11(15)8-3-4-16-12(8)7(2)13(10)17-6;1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5;1-6-10(14)9(7(2)13)12(15-3)8-4-5-16-11(6)8/h4-6H,1-3H3;3-5,15H,1-2H3;2-4,14-15H,1H3;4-5,14H,1-3H3
InChIKeyRRJZWVXTVPCQHQ-UHFFFAOYSA-N
MW926.88 g/mol
LogP10.94
Rot. Bonds3

About 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one

4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one (PubChem CID 160707353) has the molecular formula C51H42O17 and a molecular weight of 926.88 g/mol. Its IUPAC name is 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
PubChem CID160707353
Molecular FormulaC51H42O17
Molecular Weight926.88 g/mol
Exact Mass926.24
IUPAC Name4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
SMILESCOc1c(C(C)=O)c(O)c(C)c2occc12.COc1c2ccoc2c(C)c2oc(C)cc(=O)c12.Cc1cc(=O)c2c(O)c3ccoc3c(C)c2o1.Cc1cc(=O)c2c(O)c3ccoc3c(O)c2o1
InChIInChI=1S/C14H12O4.C13H10O4.C12H8O5.C12H12O4/c1-7-6-10(15)11-13(18-7)8(2)12-9(4-5-17-12)14(11)16-3;1-6-5-9(14)10-11(15)8-3-4-16-12(8)7(2)13(10)17-6;1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5;1-6-10(14)9(7(2)13)12(15-3)8-4-5-16-11(6)8/h4-6H,1-3H3;3-5,15H,1-2H3;2-4,14-15H,1H3;4-5,14H,1-3H3
InChIKeyRRJZWVXTVPCQHQ-UHFFFAOYSA-N
XLogP10.94
TPSA259.64 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.88
LogP ≤ 510.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one with MolForge

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Related Compounds

4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
CID 71328929
4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737253
ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
CID 143652322
1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea
CID 10040708
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
CID 11848275
4-methoxy-N-[4-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]butyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737481
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 90014454
cyclopentyl 4-methoxy-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonate
CID 134815503

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one?
The IUPAC name of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one (CID 160707353) is 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one.
What is the SMILES notation for 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one?
The canonical SMILES for 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one is COc1c(C(C)=O)c(O)c(C)c2occc12.COc1c2ccoc2c(C)c2oc(C)cc(=O)c12.Cc1cc(=O)c2c(O)c3ccoc3c(C)c2o1.Cc1cc(=O)c2c(O)c3ccoc3c(O)c2o1.
What is the InChIKey of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one?
The InChIKey is RRJZWVXTVPCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4.C13H10O4.C12H8O5.C12H12O4/c1-7-6-10(15)11-13(18-7)8(2)12-9(4-5-17-12)14(11)16-3;1-6-5-9(14)10-11(15)8-3-4-16-12(8)7(2)13(10)17-6;1-5-4-7(13)8-9(14)6-2-3-16-11(6)10(15)12(8)17-5;1-6-10(14)9(7(2)13)12(15-3)8-4-5-16-11(6)8/h4-6H,1-3H3;3-5,15H,1-2H3;2-4,14-15H,1H3;4-5,14H,1-3H3.
What are the key properties of 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one?
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one has a molecular weight of 926.88 g/mol, XLogP of 10.94, 3 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 160707353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).