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

C20H17NO5 — CID 4888254

IUPAC1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C20H17NO5/c1-25-10-9-21-17(12-5-4-6-13(22)11-12)16-18(23)14-7-2-3-8-15(14)26-19(16)20(21)24/h2-8,11,17,22H,9-10H2,1H3
InChIKeyOLJIECVPDXUUPP-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.69
Rot. Bonds4

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

1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4888254) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4888254
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C20H17NO5/c1-25-10-9-21-17(12-5-4-6-13(22)11-12)16-18(23)14-7-2-3-8-15(14)26-19(16)20(21)24/h2-8,11,17,22H,9-10H2,1H3
InChIKeyOLJIECVPDXUUPP-UHFFFAOYSA-N
XLogP2.69
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.69
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)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4888254) is 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OLJIECVPDXUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-25-10-9-21-17(12-5-4-6-13(22)11-12)16-18(23)14-7-2-3-8-15(14)26-19(16)20(21)24/h2-8,11,17,22H,9-10H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 351.36 g/mol, XLogP of 2.69, 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)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).