2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H29NO5 — CID 18890904

IUPAC2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C31H29NO5/c1-5-16-36-24-12-8-22(9-13-24)28-27-29(33)26-20(3)17-19(2)18-25(26)37-30(27)31(34)32(28)15-14-21-6-10-23(35-4)11-7-21/h5-13,17-18,28H,1,14-16H2,2-4H3
InChIKeyKYYVMDPHJALXMR-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.77
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890904) has the molecular formula C31H29NO5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890904
Molecular FormulaC31H29NO5
Molecular Weight495.58 g/mol
Exact Mass495.20
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C31H29NO5/c1-5-16-36-24-12-8-22(9-13-24)28-27-29(33)26-20(3)17-19(2)18-25(26)37-30(27)31(34)32(28)15-14-21-6-10-23(35-4)11-7-21/h5-13,17-18,28H,1,14-16H2,2-4H3
InChIKeyKYYVMDPHJALXMR-UHFFFAOYSA-N
XLogP5.77
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890904) is 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KYYVMDPHJALXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO5/c1-5-16-36-24-12-8-22(9-13-24)28-27-29(33)26-20(3)17-19(2)18-25(26)37-30(27)31(34)32(28)15-14-21-6-10-23(35-4)11-7-21/h5-13,17-18,28H,1,14-16H2,2-4H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 495.58 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).