4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid

C12H8O6S — CID 101182134

IUPAC4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid
SMILESCOc1c2ccoc2cc2occ(S(=O)O)c(=O)c12
InChIInChI=1S/C12H8O6S/c1-16-12-6-2-3-17-7(6)4-8-10(12)11(13)9(5-18-8)19(14)15/h2-5H,1H3,(H,14,15)
InChIKeyHVMWFOSXDHBGAQ-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.13
Rot. Bonds2

About 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid

4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid (PubChem CID 101182134) has the molecular formula C12H8O6S and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid.

Molecular Properties

Compound Name4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid
PubChem CID101182134
Molecular FormulaC12H8O6S
Molecular Weight280.26 g/mol
Exact Mass280.00
IUPAC Name4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid
SMILESCOc1c2ccoc2cc2occ(S(=O)O)c(=O)c12
InChIInChI=1S/C12H8O6S/c1-16-12-6-2-3-17-7(6)4-8-10(12)11(13)9(5-18-8)19(14)15/h2-5H,1H3,(H,14,15)
InChIKeyHVMWFOSXDHBGAQ-UHFFFAOYSA-N
XLogP2.13
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one
CID 91495761
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
CID 54718203
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone
CID 83891911
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
4-methoxy-5-methyl-1-benzofuran
CID 22940027
6-chlorofuro[3,2-g]chromen-5-one
CID 71410353
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
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
[4-(5,7-diacetyloxy-6-methoxy-4-oxochromen-3-yl)phenyl] acetate
CID 162915533

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid?
The IUPAC name of 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid (CID 101182134) is 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid.
What is the SMILES notation for 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid?
The canonical SMILES for 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid is COc1c2ccoc2cc2occ(S(=O)O)c(=O)c12.
What is the InChIKey of 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid?
The InChIKey is HVMWFOSXDHBGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O6S/c1-16-12-6-2-3-17-7(6)4-8-10(12)11(13)9(5-18-8)19(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid?
4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid has a molecular weight of 280.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid is sourced from PubChem (CID 101182134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).