2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione

C20H15NO5 — CID 2418812

IUPAC2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
SMILESCCOc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1
InChIInChI=1S/C20H15NO5/c1-3-25-12-8-9-15-16(10-12)26-11(2)17(18(15)22)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10H,3H2,1-2H3
InChIKeyWENISMMTZCPREK-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione

2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione (PubChem CID 2418812) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
PubChem CID2418812
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
SMILESCCOc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1
InChIInChI=1S/C20H15NO5/c1-3-25-12-8-9-15-16(10-12)26-11(2)17(18(15)22)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10H,3H2,1-2H3
InChIKeyWENISMMTZCPREK-UHFFFAOYSA-N
XLogP3.30
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(1,3-dioxoisoindol-2-yl)-2-methyl-4-oxochromen-7-yl] acetate
CID 987433
2-ethoxyxanthen-9-one
CID 14150405
7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 23854701
7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 4270221
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
7-ethoxy-4-phenylchromen-2-one
CID 678937
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
3-benzyl-2-methyl-7-pentoxychromen-4-one
CID 86159473
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
2,3-dimethyl-7-pentoxychromen-4-one
CID 86159504
6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114801

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione (CID 2418812) is 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione is CCOc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1.
What is the InChIKey of 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
The InChIKey is WENISMMTZCPREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c1-3-25-12-8-9-15-16(10-12)26-11(2)17(18(15)22)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10H,3H2,1-2H3.
What are the key properties of 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione has a molecular weight of 349.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 2418812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).