(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H15BrClNO5 — CID 27108840

IUPAC(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1O
InChIInChI=1S/C24H15BrClNO5/c1-31-18-10-12(9-16(25)22(18)29)20-19-21(28)15-11-13(26)7-8-17(15)32-23(19)24(30)27(20)14-5-3-2-4-6-14/h2-11,20,29H,1H3/t20-/m0/s1
InChIKeyUAVBUYRAMIRPPE-FQEVSTJZSA-N
MW512.74 g/mol
LogP5.67
Rot. Bonds3

About (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27108840) has the molecular formula C24H15BrClNO5 and a molecular weight of 512.74 g/mol. Its IUPAC name is (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27108840
Molecular FormulaC24H15BrClNO5
Molecular Weight512.74 g/mol
Exact Mass510.98
IUPAC Name(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1O
InChIInChI=1S/C24H15BrClNO5/c1-31-18-10-12(9-16(25)22(18)29)20-19-21(28)15-11-13(26)7-8-17(15)32-23(19)24(30)27(20)14-5-3-2-4-6-14/h2-11,20,29H,1H3/t20-/m0/s1
InChIKeyUAVBUYRAMIRPPE-FQEVSTJZSA-N
XLogP5.67
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.74
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853479
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852470
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853473
7-bromo-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854834
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709177
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857838
2-(4-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853291
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-chloro-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1405557
7-bromo-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708788
2-(4-bromophenyl)-7-chloro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853487
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954803

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27108840) is (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1O.
What is the InChIKey of (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UAVBUYRAMIRPPE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H15BrClNO5/c1-31-18-10-12(9-16(25)22(18)29)20-19-21(28)15-11-13(26)7-8-17(15)32-23(19)24(30)27(20)14-5-3-2-4-6-14/h2-11,20,29H,1H3/t20-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 512.74 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27108840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).