2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione

C21H13NO6 — CID 13436377

IUPAC2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione
SMILESCOc1c2ccoc2c(CN2C(=O)c3ccccc3C2=O)c2oc(=O)ccc12
InChIInChI=1S/C21H13NO6/c1-26-17-13-6-7-16(23)28-19(13)15(18-14(17)8-9-27-18)10-22-20(24)11-4-2-3-5-12(11)21(22)25/h2-9H,10H2,1H3
InChIKeyUGSRZYKTVDFCOK-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.34
Rot. Bonds3

About 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione

2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione (PubChem CID 13436377) has the molecular formula C21H13NO6 and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione
PubChem CID13436377
Molecular FormulaC21H13NO6
Molecular Weight375.34 g/mol
Exact Mass375.07
IUPAC Name2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione
SMILESCOc1c2ccoc2c(CN2C(=O)c3ccccc3C2=O)c2oc(=O)ccc12
InChIInChI=1S/C21H13NO6/c1-26-17-13-6-7-16(23)28-19(13)15(18-14(17)8-9-27-18)10-22-20(24)11-4-2-3-5-12(11)21(22)25/h2-9H,10H2,1H3
InChIKeyUGSRZYKTVDFCOK-UHFFFAOYSA-N
XLogP3.34
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione
CID 19904839
4-methoxy-9-[(7-oxofuro[3,2-g]chromen-6-yl)oxymethyl]furo[3,2-g]chromen-7-one
CID 54448545
N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide
CID 135132631
2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
CID 18421403
6-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5-methoxyfuro[2,3-h]chromen-2-one
CID 15596587
4-(2-hydroxy-3-methoxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one
CID 102165492
methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 22985467
2-[(2-bromo-3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 47061601
9-[(2R)-3-butoxy-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CID 70697917
9-[2-hydroxy-3-[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl]oxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CID 10985146
[1]benzofuro[7,6-h]chromen-8-one
CID 57357836
6-hydroxy-5,7,8-trimethoxychromen-2-one
CID 86221763

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione (CID 13436377) is 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione is COc1c2ccoc2c(CN2C(=O)c3ccccc3C2=O)c2oc(=O)ccc12.
What is the InChIKey of 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione?
The InChIKey is UGSRZYKTVDFCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO6/c1-26-17-13-6-7-16(23)28-19(13)15(18-14(17)8-9-27-18)10-22-20(24)11-4-2-3-5-12(11)21(22)25/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione?
2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione has a molecular weight of 375.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 13436377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).