6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO4 — CID 18890913

IUPAC6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H27NO4/c1-4-14-30-26(21-10-12-22(13-11-21)33-17-20-8-6-5-7-9-20)25-27(31)24-19(3)15-18(2)16-23(24)34-28(25)29(30)32/h5-13,15-16,26H,4,14,17H2,1-3H3
InChIKeyAARGFJDMKQIUDU-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.94
Rot. Bonds6

About 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890913) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890913
Molecular FormulaC29H27NO4
Molecular Weight453.54 g/mol
Exact Mass453.19
IUPAC Name6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H27NO4/c1-4-14-30-26(21-10-12-22(13-11-21)33-17-20-8-6-5-7-9-20)25-27(31)24-19(3)15-18(2)16-23(24)34-28(25)29(30)32/h5-13,15-16,26H,4,14,17H2,1-3H3
InChIKeyAARGFJDMKQIUDU-UHFFFAOYSA-N
XLogP5.94
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-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

(1S)-6,8-dimethyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638894
6,8-dimethyl-2-(oxolan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890926
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875
2-benzyl-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890900
2-(3-hydroxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108747
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890858
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109018
2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108730
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108749
6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890865
1-(4-ethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890718
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890913) is 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AARGFJDMKQIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4/c1-4-14-30-26(21-10-12-22(13-11-21)33-17-20-8-6-5-7-9-20)25-27(31)24-19(3)15-18(2)16-23(24)34-28(25)29(30)32/h5-13,15-16,26H,4,14,17H2,1-3H3.
What are the key properties of 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 453.54 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).