4,5,6-trimethoxyfuro[3,2-g]chromen-7-one

C14H12O6 — CID 623929

IUPAC4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c(OC)c2c(OC)c3ccoc3cc2oc1=O
InChIInChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3
InChIKeySHOQQSABOUVQLJ-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.57
Rot. Bonds3

About 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one

4,5,6-trimethoxyfuro[3,2-g]chromen-7-one (PubChem CID 623929) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
PubChem CID623929
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c(OC)c2c(OC)c3ccoc3cc2oc1=O
InChIInChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3
InChIKeySHOQQSABOUVQLJ-UHFFFAOYSA-N
XLogP2.57
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
CID 54718203
4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid
CID 101182134
3,4,5-trimethoxychromen-2-one
CID 19930053
6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one
CID 91495761
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-hydroxy-3-methoxyfuro[2,3-h]chromen-2-one
CID 131852892
4,5-dimethylfuro[3,2-g]chromen-7-one
CID 22367452
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
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
(7-hydroxy-4-methoxy-2-oxochromen-3-yl) acetate
CID 19929885

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one (CID 623929) is 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one is COc1c(OC)c2c(OC)c3ccoc3cc2oc1=O.
What is the InChIKey of 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one?
The InChIKey is SHOQQSABOUVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3.
What are the key properties of 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one?
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one has a molecular weight of 276.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 623929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).