1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21NO5 — CID 666908

IUPAC1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C22H21NO5/c1-12-9-16-17(10-13(12)2)28-21-18(20(16)25)19(14-5-4-6-15(24)11-14)23(22(21)26)7-8-27-3/h4-6,9-11,19,24H,7-8H2,1-3H3
InChIKeyJIFTTWVEOFIUAF-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 666908) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID666908
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C22H21NO5/c1-12-9-16-17(10-13(12)2)28-21-18(20(16)25)19(14-5-4-6-15(24)11-14)23(22(21)26)7-8-27-3/h4-6,9-11,19,24H,7-8H2,1-3H3
InChIKeyJIFTTWVEOFIUAF-UHFFFAOYSA-N
XLogP3.31
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 666908) is 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JIFTTWVEOFIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-12-9-16-17(10-13(12)2)28-21-18(20(16)25)19(14-5-4-6-15(24)11-14)23(22(21)26)7-8-27-3/h4-6,9-11,19,24H,7-8H2,1-3H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 379.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 666908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).