2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21NO6 — CID 18852214

IUPAC2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C27H21NO6/c1-15(29)16-8-11-18(12-9-16)28-24(17-10-13-21(32-2)22(14-17)33-3)23-25(30)19-6-4-5-7-20(19)34-26(23)27(28)31/h4-14,24H,1-3H3
InChIKeyJLSCBUYARCLTBN-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852214) has the molecular formula C27H21NO6 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852214
Molecular FormulaC27H21NO6
Molecular Weight455.47 g/mol
Exact Mass455.14
IUPAC Name2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C27H21NO6/c1-15(29)16-8-11-18(12-9-16)28-24(17-10-13-21(32-2)22(14-17)33-3)23-25(30)19-6-4-5-7-20(19)34-26(23)27(28)31/h4-14,24H,1-3H3
InChIKeyJLSCBUYARCLTBN-UHFFFAOYSA-N
XLogP4.76
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2223999
2-(4-acetylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856807
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18852878
2-(4-acetylphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858252
1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852425
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852399
(1R)-1-(3,4-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075963
1-(3,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4993493
methyl 4-[2-(4-ethylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18852535
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852470
2-(3-chloro-4-methoxyphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852569

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852214) is 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JLSCBUYARCLTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO6/c1-15(29)16-8-11-18(12-9-16)28-24(17-10-13-21(32-2)22(14-17)33-3)23-25(30)19-6-4-5-7-20(19)34-26(23)27(28)31/h4-14,24H,1-3H3.
What are the key properties of 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).