5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C26H21NO4 — CID 19130794

IUPAC5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H21NO4/c1-15-8-13-20-23(28)21-22(27-26(29)25(21)31-24(20)16(15)2)18-9-11-19(12-10-18)30-14-17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3,(H,27,29)
InChIKeyKOFJBNKTJZSJQJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.82
Rot. Bonds4

About 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130794) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130794
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H21NO4/c1-15-8-13-20-23(28)21-22(27-26(29)25(21)31-24(20)16(15)2)18-9-11-19(12-10-18)30-14-17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3,(H,27,29)
InChIKeyKOFJBNKTJZSJQJ-UHFFFAOYSA-N
XLogP4.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 19130820
7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130690
1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130803
1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
2-(2-hydroxyethyl)-5,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880539
7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130533
7,8-dimethyl-4-[(4-phenylphenoxy)methyl]chromen-2-one
CID 4850177
5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130861
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130848

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130794) is 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KOFJBNKTJZSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c1-15-8-13-20-23(28)21-22(27-26(29)25(21)31-24(20)16(15)2)18-9-11-19(12-10-18)30-14-17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3,(H,27,29).
What are the key properties of 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 411.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).