2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H23NO4 — CID 18856474

IUPAC2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(O)cc2)cc1C
InChIInChI=1S/C27H23NO4/c1-14-5-8-19(11-15(14)2)28-24(18-6-9-20(29)10-7-18)23-25(30)21-12-16(3)17(4)13-22(21)32-26(23)27(28)31/h5-13,24,29H,1-4H3
InChIKeyFCDHNQLAVFHSIE-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.48
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856474) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856474
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(O)cc2)cc1C
InChIInChI=1S/C27H23NO4/c1-14-5-8-19(11-15(14)2)28-24(18-6-9-20(29)10-7-18)23-25(30)21-12-16(3)17(4)13-22(21)32-26(23)27(28)31/h5-13,24,29H,1-4H3
InChIKeyFCDHNQLAVFHSIE-UHFFFAOYSA-N
XLogP5.48
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854465
1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856485
1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856545
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856510
2-(3-chloro-4-methylphenyl)-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856358
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854447
1-(4-hydroxyphenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704993
6,7-dimethyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856348
2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857918
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856542
2-(3-chloro-4-methylphenyl)-1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856605

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856474) is 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FCDHNQLAVFHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-14-5-8-19(11-15(14)2)28-24(18-6-9-20(29)10-7-18)23-25(30)21-12-16(3)17(4)13-22(21)32-26(23)27(28)31/h5-13,24,29H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 425.48 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).