2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H24BrNO5 — CID 18857802

IUPAC2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(Br)c2)ccc1OCc1ccccc1
InChIInChI=1S/C32H24BrNO5/c1-19-11-13-25-24(15-19)30(35)28-29(34(32(36)31(28)39-25)23-10-6-9-22(33)17-23)21-12-14-26(27(16-21)37-2)38-18-20-7-4-3-5-8-20/h3-17,29H,18H2,1-2H3
InChIKeyQNQUCBAPPVEWHI-UHFFFAOYSA-N
MW582.45 g/mol
LogP7.20
Rot. Bonds6

About 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857802) has the molecular formula C32H24BrNO5 and a molecular weight of 582.45 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857802
Molecular FormulaC32H24BrNO5
Molecular Weight582.45 g/mol
Exact Mass581.08
IUPAC Name2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(Br)c2)ccc1OCc1ccccc1
InChIInChI=1S/C32H24BrNO5/c1-19-11-13-25-24(15-19)30(35)28-29(34(32(36)31(28)39-25)23-10-6-9-22(33)17-23)21-12-14-26(27(16-21)37-2)38-18-20-7-4-3-5-8-20/h3-17,29H,18H2,1-2H3
InChIKeyQNQUCBAPPVEWHI-UHFFFAOYSA-N
XLogP7.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.45
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855805
2-(4-methoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857791
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858127
1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819288
ethyl 4-[1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18857805
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855114
2-(3-bromophenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857321
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857838
7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853435
2-(3-bromophenyl)-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857357
2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857625

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857802) is 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(Br)c2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QNQUCBAPPVEWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrNO5/c1-19-11-13-25-24(15-19)30(35)28-29(34(32(36)31(28)39-25)23-10-6-9-22(33)17-23)21-12-14-26(27(16-21)37-2)38-18-20-7-4-3-5-8-20/h3-17,29H,18H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 582.45 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).