7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C35H30ClNO6 — CID 18882725

IUPAC7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C35H30ClNO6/c1-4-41-30-17-24(12-15-28(30)42-20-23-8-6-5-7-9-23)32-31-33(38)26-18-27(36)21(2)16-29(26)43-34(31)35(39)37(32)19-22-10-13-25(40-3)14-11-22/h5-18,32H,4,19-20H2,1-3H3
InChIKeyPWMYXVJVSCMCIO-UHFFFAOYSA-N
MW596.08 g/mol
LogP7.49
Rot. Bonds9

About 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882725) has the molecular formula C35H30ClNO6 and a molecular weight of 596.08 g/mol. Its IUPAC name is 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882725
Molecular FormulaC35H30ClNO6
Molecular Weight596.08 g/mol
Exact Mass595.18
IUPAC Name7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C35H30ClNO6/c1-4-41-30-17-24(12-15-28(30)42-20-23-8-6-5-7-9-23)32-31-33(38)26-18-27(36)21(2)16-29(26)43-34(31)35(39)37(32)19-22-10-13-25(40-3)14-11-22/h5-18,32H,4,19-20H2,1-3H3
InChIKeyPWMYXVJVSCMCIO-UHFFFAOYSA-N
XLogP7.49
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.08
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810672
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882388
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810982
2-benzyl-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809675
7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882754
2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
2-benzyl-7-chloro-1-(3-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882526
1-(4-ethoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809567
7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882675
7-chloro-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882688
1-(4-butoxy-3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809683
7-chloro-2-[(4-methoxyphenyl)methyl]-6-methyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882715

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882725) is 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PWMYXVJVSCMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClNO6/c1-4-41-30-17-24(12-15-28(30)42-20-23-8-6-5-7-9-23)32-31-33(38)26-18-27(36)21(2)16-29(26)43-34(31)35(39)37(32)19-22-10-13-25(40-3)14-11-22/h5-18,32H,4,19-20H2,1-3H3.
What are the key properties of 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 596.08 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).