2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H31NO5 — CID 18852402

IUPAC2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C31H31NO5/c1-18(2)14-15-36-25-13-11-21(17-26(25)35-5)28-27-29(33)23-8-6-7-9-24(23)37-30(27)31(34)32(28)22-12-10-19(3)20(4)16-22/h6-13,16-18,28H,14-15H2,1-5H3
InChIKeySWHGSAAVZMSHOK-UHFFFAOYSA-N
MW497.59 g/mol
LogP6.59
Rot. Bonds7

About 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852402) has the molecular formula C31H31NO5 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852402
Molecular FormulaC31H31NO5
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC Name2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C31H31NO5/c1-18(2)14-15-36-25-13-11-21(17-26(25)35-5)28-27-29(33)23-8-6-7-9-24(23)37-30(27)31(34)32(28)22-12-10-19(3)20(4)16-22/h6-13,16-18,28H,14-15H2,1-5H3
InChIKeySWHGSAAVZMSHOK-UHFFFAOYSA-N
XLogP6.59
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-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-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852399
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852810
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854760
7-bromo-2-(3-chlorophenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854755
2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852760
1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852425
2-(3-methoxyphenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852701
(1S)-2-[3-(dimethylamino)propyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39866307
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819135
2-(3-chloro-4-methoxyphenyl)-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858177
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819913

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852402) is 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCCC(C)C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SWHGSAAVZMSHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO5/c1-18(2)14-15-36-25-13-11-21(17-26(25)35-5)28-27-29(33)23-8-6-7-9-24(23)37-30(27)31(34)32(28)22-12-10-19(3)20(4)16-22/h6-13,16-18,28H,14-15H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 497.59 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).