1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H16BrNO5 — CID 18852470

IUPAC1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1O
InChIInChI=1S/C24H16BrNO5/c1-30-18-12-13(11-16(25)22(18)28)20-19-21(27)15-9-5-6-10-17(15)31-23(19)24(29)26(20)14-7-3-2-4-8-14/h2-12,20,28H,1H3
InChIKeyKSNRCICKGXFOLP-UHFFFAOYSA-N
MW478.30 g/mol
LogP5.02
Rot. Bonds3

About 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852470) has the molecular formula C24H16BrNO5 and a molecular weight of 478.30 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852470
Molecular FormulaC24H16BrNO5
Molecular Weight478.30 g/mol
Exact Mass477.02
IUPAC Name1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1O
InChIInChI=1S/C24H16BrNO5/c1-30-18-12-13(11-16(25)22(18)28)20-19-21(27)15-9-5-6-10-17(15)31-23(19)24(29)26(20)14-7-3-2-4-8-14/h2-12,20,28H,1H3
InChIKeyKSNRCICKGXFOLP-UHFFFAOYSA-N
XLogP5.02
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27108840
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706865
7-bromo-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854834
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1398900
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-chloro-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1405557
(1R)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316461
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857838
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853479
7-bromo-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708788
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5144803
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853473
(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2223999

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852470) is 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KSNRCICKGXFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrNO5/c1-30-18-12-13(11-16(25)22(18)28)20-19-21(27)15-9-5-6-10-17(15)31-23(19)24(29)26(20)14-7-3-2-4-8-14/h2-12,20,28H,1H3.
What are the key properties of 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 478.30 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).