1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21NO5 — CID 666448

IUPAC1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C22H21NO5/c1-12-10-16-17(11-13(12)2)28-21-18(20(16)25)19(14-4-6-15(24)7-5-14)23(22(21)26)8-9-27-3/h4-7,10-11,19,24H,8-9H2,1-3H3
InChIKeyHSWKLBXQIHSMFV-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 666448) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID666448
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C22H21NO5/c1-12-10-16-17(11-13(12)2)28-21-18(20(16)25)19(14-4-6-15(24)7-5-14)23(22(21)26)8-9-27-3/h4-7,10-11,19,24H,8-9H2,1-3H3
InChIKeyHSWKLBXQIHSMFV-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-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 666448) is 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-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)c2C1c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HSWKLBXQIHSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-12-10-16-17(11-13(12)2)28-21-18(20(16)25)19(14-4-6-15(24)7-5-14)23(22(21)26)8-9-27-3/h4-7,10-11,19,24H,8-9H2,1-3H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-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-(4-hydroxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 666448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).