2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H29NO6 — CID 18857108

IUPAC2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC
InChIInChI=1S/C32H29NO6/c1-6-14-38-25-13-10-22(17-27(25)37-7-2)29-28-30(35)24-15-18(3)19(4)16-26(24)39-31(28)32(36)33(29)23-11-8-21(9-12-23)20(5)34/h6,8-13,15-17,29H,1,7,14H2,2-5H3
InChIKeyKAGCBUWBYIUTSZ-UHFFFAOYSA-N
MW523.59 g/mol
LogP6.33
Rot. Bonds8

About 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857108) has the molecular formula C32H29NO6 and a molecular weight of 523.59 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857108
Molecular FormulaC32H29NO6
Molecular Weight523.59 g/mol
Exact Mass523.20
IUPAC Name2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC
InChIInChI=1S/C32H29NO6/c1-6-14-38-25-13-10-22(17-27(25)37-7-2)29-28-30(35)24-15-18(3)19(4)16-26(24)39-31(28)32(36)33(29)23-11-8-21(9-12-23)20(5)34/h6,8-13,15-17,29H,1,7,14H2,2-5H3
InChIKeyKAGCBUWBYIUTSZ-UHFFFAOYSA-N
XLogP6.33
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858252
1-(3,4-diethoxyphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857059
2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856964
2-(4-acetylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856520
ethyl 4-[7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853750
ethyl 4-[1-(3-ethoxy-4-pentoxyphenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18857164
2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857000
2-(4-acetylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856807
ethyl 4-[7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853894
2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856094
2-(4-bromophenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852741
2-(3-chloro-4-methylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858104

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857108) is 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC.
What is the InChIKey of 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KAGCBUWBYIUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO6/c1-6-14-38-25-13-10-22(17-27(25)37-7-2)29-28-30(35)24-15-18(3)19(4)16-26(24)39-31(28)32(36)33(29)23-11-8-21(9-12-23)20(5)34/h6,8-13,15-17,29H,1,7,14H2,2-5H3.
What are the key properties of 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 523.59 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).