7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H20ClNO6 — CID 667325

IUPAC7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C25H20ClNO6/c1-3-31-20-10-14(6-7-18(20)28)22-21-23(29)16-11-17(26)13(2)9-19(16)33-24(21)25(30)27(22)12-15-5-4-8-32-15/h4-11,22,28H,3,12H2,1-2H3
InChIKeyHSYYDUBAOSZFGG-UHFFFAOYSA-N
MW465.89 g/mol
LogP5.20
Rot. Bonds5

About 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 667325) has the molecular formula C25H20ClNO6 and a molecular weight of 465.89 g/mol. Its IUPAC name is 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID667325
Molecular FormulaC25H20ClNO6
Molecular Weight465.89 g/mol
Exact Mass465.10
IUPAC Name7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C25H20ClNO6/c1-3-31-20-10-14(6-7-18(20)28)22-21-23(29)16-11-17(26)13(2)9-19(16)33-24(21)25(30)27(22)12-15-5-4-8-32-15/h4-11,22,28H,3,12H2,1-2H3
InChIKeyHSYYDUBAOSZFGG-UHFFFAOYSA-N
XLogP5.20
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 667325) is 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HSYYDUBAOSZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO6/c1-3-31-20-10-14(6-7-18(20)28)22-21-23(29)16-11-17(26)13(2)9-19(16)33-24(21)25(30)27(22)12-15-5-4-8-32-15/h4-11,22,28H,3,12H2,1-2H3.
What are the key properties of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 465.89 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 667325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).