2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione

C19H17NO5 — CID 155806397

IUPAC2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
SMILESCOc1ccc2oc3c(C)c4c(c(C)c3c2c1)C(=O)N(CCO)C4=O
InChIInChI=1S/C19H17NO5/c1-9-14-12-8-11(24-3)4-5-13(12)25-17(14)10(2)16-15(9)18(22)20(6-7-21)19(16)23/h4-5,8,21H,6-7H2,1-3H3
InChIKeyBVLLJHWMQLIGQW-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione

2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione (PubChem CID 155806397) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
PubChem CID155806397
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
SMILESCOc1ccc2oc3c(C)c4c(c(C)c3c2c1)C(=O)N(CCO)C4=O
InChIInChI=1S/C19H17NO5/c1-9-14-12-8-11(24-3)4-5-13(12)25-17(14)10(2)16-15(9)18(22)20(6-7-21)19(16)23/h4-5,8,21H,6-7H2,1-3H3
InChIKeyBVLLJHWMQLIGQW-UHFFFAOYSA-N
XLogP2.80
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione (CID 155806397) is 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione is COc1ccc2oc3c(C)c4c(c(C)c3c2c1)C(=O)N(CCO)C4=O.
What is the InChIKey of 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
The InChIKey is BVLLJHWMQLIGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-9-14-12-8-11(24-3)4-5-13(12)25-17(14)10(2)16-15(9)18(22)20(6-7-21)19(16)23/h4-5,8,21H,6-7H2,1-3H3.
What are the key properties of 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione has a molecular weight of 339.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione is sourced from PubChem (CID 155806397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).