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

C34H28BrNO6 — CID 18810672

IUPAC7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C34H28BrNO6/c1-3-40-29-17-23(11-15-28(29)41-20-22-7-5-4-6-8-22)31-30-32(37)26-18-24(35)12-16-27(26)42-33(30)34(38)36(31)19-21-9-13-25(39-2)14-10-21/h4-18,31H,3,19-20H2,1-2H3
InChIKeyGWOKCFDPSKWEEW-UHFFFAOYSA-N
MW626.50 g/mol
LogP7.29
Rot. Bonds9

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

7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810672) has the molecular formula C34H28BrNO6 and a molecular weight of 626.50 g/mol. Its IUPAC name is 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18810672
Molecular FormulaC34H28BrNO6
Molecular Weight626.50 g/mol
Exact Mass625.11
IUPAC Name7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C34H28BrNO6/c1-3-40-29-17-23(11-15-28(29)41-20-22-7-5-4-6-8-22)31-30-32(37)26-18-24(35)12-16-27(26)42-33(30)34(38)36(31)19-21-9-13-25(39-2)14-10-21/h4-18,31H,3,19-20H2,1-2H3
InChIKeyGWOKCFDPSKWEEW-UHFFFAOYSA-N
XLogP7.29
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.50
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-7-bromo-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810657
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882725
2-benzyl-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809675
2-benzyl-7-bromo-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136138
1-(4-ethoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809567
1-(4-butoxy-3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809683
7-bromo-2-(4-bromophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855111
2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809613
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855114
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810982
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810665
7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855056

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810672) is 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GWOKCFDPSKWEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28BrNO6/c1-3-40-29-17-23(11-15-28(29)41-20-22-7-5-4-6-8-22)31-30-32(37)26-18-24(35)12-16-27(26)42-33(30)34(38)36(31)19-21-9-13-25(39-2)14-10-21/h4-18,31H,3,19-20H2,1-2H3.
What are the key properties of 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 626.50 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).