2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H25NO6 — CID 18858240

IUPAC2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C29H25NO6/c1-5-14-35-23-13-7-18(16-24(23)34-4)26-25-27(31)21-15-17(2)6-12-22(21)36-28(25)29(32)30(26)19-8-10-20(33-3)11-9-19/h5-13,15-16,26H,1,14H2,2-4H3
InChIKeyGMTXUPRXZGHYHA-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.43
Rot. Bonds7

About 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18858240) has the molecular formula C29H25NO6 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18858240
Molecular FormulaC29H25NO6
Molecular Weight483.52 g/mol
Exact Mass483.17
IUPAC Name2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C29H25NO6/c1-5-14-35-23-13-7-18(16-24(23)34-4)26-25-27(31)21-15-17(2)6-12-22(21)36-28(25)29(32)30(26)19-8-10-20(33-3)11-9-19/h5-13,15-16,26H,1,14H2,2-4H3
InChIKeyGMTXUPRXZGHYHA-UHFFFAOYSA-N
XLogP5.43
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.43
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
2-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858249
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856243
2-(3-chloro-4-methylphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858248
2-(4-methoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857791
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853964
7-methyl-2-phenyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857718
(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42414935
2-(4-ethoxyphenyl)-1-(4-hexoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853935
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
1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819275
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18858240) is 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GMTXUPRXZGHYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6/c1-5-14-35-23-13-7-18(16-24(23)34-4)26-25-27(31)21-15-17(2)6-12-22(21)36-28(25)29(32)30(26)19-8-10-20(33-3)11-9-19/h5-13,15-16,26H,1,14H2,2-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 483.52 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18858240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).