4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

C84H54O28 — CID 161472291

IUPAC4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
SMILESCC(C)=CCOc1c2occc2cc2ccc(=O)oc12.COc1c2ccoc2cc2oc(=O)ccc12.COc1c2occc2cc2ccc(=O)oc12.O=c1ccc2c(O)c3ccoc3c(O)c2o1.O=c1ccc2c(O)c3ccoc3cc2o1.O=c1ccc2cc3ccoc3c(O)c2o1.O=c1ccc2cc3ccoc3cc2o1
InChIInChI=1S/C16H14O4.2C12H8O4.C11H6O5.2C11H6O4.C11H6O3/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16;1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9;1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12;12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7;12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8;12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8;12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h3-6,8-9H,7H2,1-2H3;2*2-6H,1H3;1-4,13-14H;2*1-5,13H;1-6H
InChIKeyWDGFBYHCODMPQI-UHFFFAOYSA-N
MW1511.33 g/mol
LogP17.96
Rot. Bonds5

About 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one (PubChem CID 161472291) has the molecular formula C84H54O28 and a molecular weight of 1511.33 g/mol. Its IUPAC name is 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
PubChem CID161472291
Molecular FormulaC84H54O28
Molecular Weight1511.33 g/mol
Exact Mass1510.28
IUPAC Name4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
SMILESCC(C)=CCOc1c2occc2cc2ccc(=O)oc12.COc1c2ccoc2cc2oc(=O)ccc12.COc1c2occc2cc2ccc(=O)oc12.O=c1ccc2c(O)c3ccoc3c(O)c2o1.O=c1ccc2c(O)c3ccoc3cc2o1.O=c1ccc2cc3ccoc3c(O)c2o1.O=c1ccc2cc3ccoc3cc2o1
InChIInChI=1S/C16H14O4.2C12H8O4.C11H6O5.2C11H6O4.C11H6O3/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16;1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9;1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12;12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7;12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8;12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8;12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h3-6,8-9H,7H2,1-2H3;2*2-6H,1H3;1-4,13-14H;2*1-5,13H;1-6H
InChIKeyWDGFBYHCODMPQI-UHFFFAOYSA-N
XLogP17.96
TPSA412.06 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds5
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.33
LogP ≤ 517.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one with MolForge

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Related Compounds

9-prop-2-enoxyfuro[3,2-g]chromen-7-one
CID 12772891
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
4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
CID 54448545
4-[(2E,5S)-3,5,7-trimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162824890
4-(3,5,7-trimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
CID 162824889
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
CID 88593145
4-[[(2S,4R)-4'-methoxy-5,5-dimethyl-9'-(3-methylbut-2-enoxy)spiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
CID 155558463
4-methoxy-9-[3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
CID 162921781
4-[(2E,5S)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162906112
[(6E)-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyocta-2,6-dien-4-yl] acetate
CID 45479858
9-methoxyfuro[3,2-g]chromen-7-one;2-phenylethylhydrazine
CID 87812173

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one (CID 161472291) is 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one is CC(C)=CCOc1c2occc2cc2ccc(=O)oc12.COc1c2ccoc2cc2oc(=O)ccc12.COc1c2occc2cc2ccc(=O)oc12.O=c1ccc2c(O)c3ccoc3c(O)c2o1.O=c1ccc2c(O)c3ccoc3cc2o1.O=c1ccc2cc3ccoc3c(O)c2o1.O=c1ccc2cc3ccoc3cc2o1.
What is the InChIKey of 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one?
The InChIKey is WDGFBYHCODMPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4.2C12H8O4.C11H6O5.2C11H6O4.C11H6O3/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16;1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9;1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12;12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7;12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8;12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8;12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h3-6,8-9H,7H2,1-2H3;2*2-6H,1H3;1-4,13-14H;2*1-5,13H;1-6H.
What are the key properties of 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one?
4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one has a molecular weight of 1511.33 g/mol, XLogP of 17.96, 5 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 161472291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).