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

C26H20ClNO5 — CID 18853255

IUPAC7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1O
InChIInChI=1S/C26H20ClNO5/c1-3-32-21-12-15(6-10-19(21)29)23-22-24(30)18-13-16(27)7-11-20(18)33-25(22)26(31)28(23)17-8-4-14(2)5-9-17/h4-13,23,29H,3H2,1-2H3
InChIKeyKAZOBVOPKZNXNR-UHFFFAOYSA-N
MW461.90 g/mol
LogP5.61
Rot. Bonds4

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

7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853255) has the molecular formula C26H20ClNO5 and a molecular weight of 461.90 g/mol. Its IUPAC name is 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853255
Molecular FormulaC26H20ClNO5
Molecular Weight461.90 g/mol
Exact Mass461.10
IUPAC Name7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1O
InChIInChI=1S/C26H20ClNO5/c1-3-32-21-12-15(6-10-19(21)29)23-22-24(30)18-13-16(27)7-11-20(18)33-25(22)26(31)28(23)17-8-4-14(2)5-9-17/h4-13,23,29H,3H2,1-2H3
InChIKeyKAZOBVOPKZNXNR-UHFFFAOYSA-N
XLogP5.61
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.90
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853257
2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857625
2-(4-bromophenyl)-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853167
ethyl 4-[7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853750
ethyl 4-[7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18854621
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144062
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858077
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853734
2-(4-acetylphenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855626
1-(3,4-diethoxyphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857059
2-(4-bromophenyl)-1-(4-butoxy-3-ethoxyphenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853773
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39866958

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853255) is 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1O.
What is the InChIKey of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KAZOBVOPKZNXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO5/c1-3-32-21-12-15(6-10-19(21)29)23-22-24(30)18-13-16(27)7-11-20(18)33-25(22)26(31)28(23)17-8-4-14(2)5-9-17/h4-13,23,29H,3H2,1-2H3.
What are the key properties of 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 461.90 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).