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

C25H25NO5 — CID 18890732

IUPAC1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCC)c(OC)c1
InChIInChI=1S/C25H25NO5/c1-6-10-26-22(16-8-9-17(30-7-2)18(13-16)29-5)21-23(27)20-15(4)11-14(3)12-19(20)31-24(21)25(26)28/h6,8-9,11-13,22H,1,7,10H2,2-5H3
InChIKeyLIIGYNXBGVSEIT-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.55
Rot. Bonds6

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

1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890732) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890732
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCC)c(OC)c1
InChIInChI=1S/C25H25NO5/c1-6-10-26-22(16-8-9-17(30-7-2)18(13-16)29-5)21-23(27)20-15(4)11-14(3)12-19(20)31-24(21)25(26)28/h6,8-9,11-13,22H,1,7,10H2,2-5H3
InChIKeyLIIGYNXBGVSEIT-UHFFFAOYSA-N
XLogP4.55
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890726
6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890830
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109012
1-(3,4-diethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108964
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109058
2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109174
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109184
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890705
2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108730

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890732) is 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCC)c(OC)c1.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LIIGYNXBGVSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-6-10-26-22(16-8-9-17(30-7-2)18(13-16)29-5)21-23(27)20-15(4)11-14(3)12-19(20)31-24(21)25(26)28/h6,8-9,11-13,22H,1,7,10H2,2-5H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 419.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).