4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde

C15H12O6 — CID 101182137

IUPAC4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde
SMILESCOc1c2occc2c(OC)c2c(=O)c(C=O)c(C)oc12
InChIInChI=1S/C15H12O6/c1-7-9(6-16)11(17)10-12(18-2)8-4-5-20-13(8)15(19-3)14(10)21-7/h4-6H,1-3H3
InChIKeyXBVGMVWFMWKXRJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.68
Rot. Bonds3

About 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde

4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde (PubChem CID 101182137) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde.

Molecular Properties

Compound Name4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde
PubChem CID101182137
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde
SMILESCOc1c2occc2c(OC)c2c(=O)c(C=O)c(C)oc12
InChIInChI=1S/C15H12O6/c1-7-9(6-16)11(17)10-12(18-2)8-4-5-20-13(8)15(19-3)14(10)21-7/h4-6H,1-3H3
InChIKeyXBVGMVWFMWKXRJ-UHFFFAOYSA-N
XLogP2.68
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-[(E)-hydroxyiminomethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
CID 10829786
4,9-dimethoxy-5-methyl-7-oxofuro[3,2-g]chromene-6-carbohydrazide
CID 44820371
4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
CID 82374430
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate
CID 10830529
ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
CID 153362051
4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methyl acetate;methanethiol
CID 88685421
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
CID 143652322
14,20-dimethoxy-12,16-dioxa-3,5,6-triazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),9,13,15(19),17-heptaene-7,11-dione
CID 162416814
10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one
CID 177473990

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
The IUPAC name of 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde (CID 101182137) is 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde.
What is the SMILES notation for 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
The canonical SMILES for 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde is COc1c2occc2c(OC)c2c(=O)c(C=O)c(C)oc12.
What is the InChIKey of 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
The InChIKey is XBVGMVWFMWKXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-7-9(6-16)11(17)10-12(18-2)8-4-5-20-13(8)15(19-3)14(10)21-7/h4-6H,1-3H3.
What are the key properties of 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde has a molecular weight of 288.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde is sourced from PubChem (CID 101182137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).