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

C22H20BrNO6 — CID 4706175

IUPAC7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCOC)ccc1O
InChIInChI=1S/C22H20BrNO6/c1-3-29-17-10-12(4-6-15(17)25)19-18-20(26)14-11-13(23)5-7-16(14)30-21(18)22(27)24(19)8-9-28-2/h4-7,10-11,19,25H,3,8-9H2,1-2H3
InChIKeyCSBDGUUEVVYNLX-UHFFFAOYSA-N
MW474.31 g/mol
LogP3.85
Rot. Bonds6

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

7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706175) has the molecular formula C22H20BrNO6 and a molecular weight of 474.31 g/mol. Its IUPAC name is 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706175
Molecular FormulaC22H20BrNO6
Molecular Weight474.31 g/mol
Exact Mass473.05
IUPAC Name7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCOC)ccc1O
InChIInChI=1S/C22H20BrNO6/c1-3-29-17-10-12(4-6-15(17)25)19-18-20(26)14-11-13(23)5-7-16(14)30-21(18)22(27)24(19)8-9-28-2/h4-7,10-11,19,25H,3,8-9H2,1-2H3
InChIKeyCSBDGUUEVVYNLX-UHFFFAOYSA-N
XLogP3.85
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40722140
1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706025
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705380
7-bromo-1-(4-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706169
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706498
7-bromo-1-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706165
(1R)-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2038698
1-(3,4-diethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706042
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705375
7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706181
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691
1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706096

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706175) is 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCOC)ccc1O.
What is the InChIKey of 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CSBDGUUEVVYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO6/c1-3-29-17-10-12(4-6-15(17)25)19-18-20(26)14-11-13(23)5-7-16(14)30-21(18)22(27)24(19)8-9-28-2/h4-7,10-11,19,25H,3,8-9H2,1-2H3.
What are the key properties of 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).