6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one

C12H7BrO5 — CID 54718203

IUPAC6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2cc2oc(=O)c(Br)c(O)c12
InChIInChI=1S/C12H7BrO5/c1-16-11-5-2-3-17-6(5)4-7-8(11)10(14)9(13)12(15)18-7/h2-4,14H,1H3
InChIKeyFHGSEEXCWZIHHQ-UHFFFAOYSA-N
MW311.09 g/mol
LogP3.02
Rot. Bonds1

About 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one

6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one (PubChem CID 54718203) has the molecular formula C12H7BrO5 and a molecular weight of 311.09 g/mol. Its IUPAC name is 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
PubChem CID54718203
Molecular FormulaC12H7BrO5
Molecular Weight311.09 g/mol
Exact Mass309.95
IUPAC Name6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2cc2oc(=O)c(Br)c(O)c12
InChIInChI=1S/C12H7BrO5/c1-16-11-5-2-3-17-6(5)4-7-8(11)10(14)9(13)12(15)18-7/h2-4,14H,1H3
InChIKeyFHGSEEXCWZIHHQ-UHFFFAOYSA-N
XLogP3.02
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid
CID 101182134
4-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one
CID 131852892
3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241971
6,13-dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
CID 11737608
6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one
CID 91495761
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
6-[(2-bromophenyl)-(5-hydroxy-4,9-dimethoxy-7-oxofuro[3,2-g]chromen-6-yl)methyl]-5-hydroxy-4,9-dimethoxyfuro[3,2-g]chromen-7-one
CID 54697200
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
4,5-dimethylfuro[3,2-g]chromen-7-one
CID 22367452
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
1,9-dihydroxy-10-methoxy-3-methylbenzo[c][1]benzoxepine-6,11-dione
CID 139587486

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one (CID 54718203) is 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one is COc1c2ccoc2cc2oc(=O)c(Br)c(O)c12.
What is the InChIKey of 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
The InChIKey is FHGSEEXCWZIHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO5/c1-16-11-5-2-3-17-6(5)4-7-8(11)10(14)9(13)12(15)18-7/h2-4,14H,1H3.
What are the key properties of 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one has a molecular weight of 311.09 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 54718203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).