4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one

C24H14O8 — CID 54448545

IUPAC4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(COc2cc3cc4ccoc4cc3oc2=O)c2oc(=O)ccc12
InChIInChI=1S/C24H14O8/c1-27-21-14-2-3-20(25)32-23(14)16(22-15(21)5-7-29-22)11-30-19-9-13-8-12-4-6-28-17(12)10-18(13)31-24(19)26/h2-10H,11H2,1H3
InChIKeyWTHMMLNITYQYKC-UHFFFAOYSA-N
MW430.37 g/mol
LogP4.98
Rot. Bonds4

About 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one

4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one (PubChem CID 54448545) has the molecular formula C24H14O8 and a molecular weight of 430.37 g/mol. Its IUPAC name is 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
PubChem CID54448545
Molecular FormulaC24H14O8
Molecular Weight430.37 g/mol
Exact Mass430.07
IUPAC Name4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(COc2cc3cc4ccoc4cc3oc2=O)c2oc(=O)ccc12
InChIInChI=1S/C24H14O8/c1-27-21-14-2-3-20(25)32-23(14)16(22-15(21)5-7-29-22)11-30-19-9-13-8-12-4-6-28-17(12)10-18(13)31-24(19)26/h2-10H,11H2,1H3
InChIKeyWTHMMLNITYQYKC-UHFFFAOYSA-N
XLogP4.98
TPSA105.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one with MolForge

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Related Compounds

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
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
2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione
CID 13436377
9-[(2S)-3-chloro-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CID 163042488
6,9-dimethoxyfuro[3,2-g]chromen-7-one
CID 162954725
6,7-dimethoxychromen-2-one
CID 159563577
6-(2,6-dimethylocta-2,6-dien-4-yloxy)furo[3,2-g]chromen-7-one
CID 54222373
6-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5-methoxyfuro[2,3-h]chromen-2-one
CID 15596587
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
9-methoxyfuro[3,2-g]chromen-7-one;2-phenylethylhydrazine
CID 87812173
4-[[chloromethyl(methyl)amino]methyl]-9-methoxyfuro[3,2-g]chromen-7-one
CID 54397963

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one (CID 54448545) is 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one is COc1c2ccoc2c(COc2cc3cc4ccoc4cc3oc2=O)c2oc(=O)ccc12.
What is the InChIKey of 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one?
The InChIKey is WTHMMLNITYQYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O8/c1-27-21-14-2-3-20(25)32-23(14)16(22-15(21)5-7-29-22)11-30-19-9-13-8-12-4-6-28-17(12)10-18(13)31-24(19)26/h2-10H,11H2,1H3.
What are the key properties of 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one?
4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one has a molecular weight of 430.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 54448545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).