7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H18BrNO5 — CID 4996012

IUPAC7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc(O)c2)cc1
InChIInChI=1S/C25H18BrNO5/c1-31-18-8-5-14(6-9-18)13-27-22(15-3-2-4-17(28)11-15)21-23(29)19-12-16(26)7-10-20(19)32-24(21)25(27)30/h2-12,22,28H,13H2,1H3
InChIKeySAHIAOYHJBBRPK-UHFFFAOYSA-N
MW492.33 g/mol
LogP5.02
Rot. Bonds4

About 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4996012) has the molecular formula C25H18BrNO5 and a molecular weight of 492.33 g/mol. Its IUPAC name is 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4996012
Molecular FormulaC25H18BrNO5
Molecular Weight492.33 g/mol
Exact Mass491.04
IUPAC Name7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc(O)c2)cc1
InChIInChI=1S/C25H18BrNO5/c1-31-18-8-5-14(6-9-18)13-27-22(15-3-2-4-17(28)11-15)21-23(29)19-12-16(26)7-10-20(19)32-24(21)25(27)30/h2-12,22,28H,13H2,1H3
InChIKeySAHIAOYHJBBRPK-UHFFFAOYSA-N
XLogP5.02
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810672
2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810538
(1R)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144291
(1R)-7-bromo-2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41028049
2-benzyl-7-bromo-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136138
1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810842
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809849
1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809875
7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820383
7-bromo-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820393
7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854922

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4996012) is 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CN2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc(O)c2)cc1.
What is the InChIKey of 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SAHIAOYHJBBRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO5/c1-31-18-8-5-14(6-9-18)13-27-22(15-3-2-4-17(28)11-15)21-23(29)19-12-16(26)7-10-20(19)32-24(21)25(27)30/h2-12,22,28H,13H2,1H3.
What are the key properties of 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4996012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).