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

C24H23NO6 — CID 42414935

IUPAC(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC
InChIInChI=1S/C24H23NO6/c1-4-11-30-18-8-6-15(13-19(18)29-3)21-20-22(27)16-12-14(2)5-7-17(16)31-23(20)24(28)25(21)9-10-26/h4-8,12-13,21,26H,1,9-11H2,2-3H3/t21-/m1/s1
InChIKeyYTDJWVBPGAVNBY-OAQYLSRUSA-N
MW421.45 g/mol
LogP3.21
Rot. Bonds7

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

(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42414935) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID42414935
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC
InChIInChI=1S/C24H23NO6/c1-4-11-30-18-8-6-15(13-19(18)29-3)21-20-22(27)16-12-14(2)5-7-17(16)31-23(20)24(28)25(21)9-10-26/h4-8,12-13,21,26H,1,9-11H2,2-3H3/t21-/m1/s1
InChIKeyYTDJWVBPGAVNBY-OAQYLSRUSA-N
XLogP3.21
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705144
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40870877
(1S)-2-(2-hydroxyethyl)-7-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27317060
2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858240
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
1-(4-butoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706079
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
1-(4-butoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706375
(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879753
(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387528

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42414935) is (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC.
What is the InChIKey of (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YTDJWVBPGAVNBY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23NO6/c1-4-11-30-18-8-6-15(13-19(18)29-3)21-20-22(27)16-12-14(2)5-7-17(16)31-23(20)24(28)25(21)9-10-26/h4-8,12-13,21,26H,1,9-11H2,2-3H3/t21-/m1/s1.
What are the key properties of (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 421.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42414935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).