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

C34H28ClNO5 — CID 18882754

IUPAC7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C34H28ClNO5/c1-21-17-29-27(19-28(21)35)32(37)30-31(24-9-6-10-26(18-24)40-20-23-7-4-3-5-8-23)36(34(38)33(30)41-29)16-15-22-11-13-25(39-2)14-12-22/h3-14,17-19,31H,15-16,20H2,1-2H3
InChIKeyHVSJEJUOMUMDJD-UHFFFAOYSA-N
MW566.05 g/mol
LogP7.13
Rot. Bonds8

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

7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882754) has the molecular formula C34H28ClNO5 and a molecular weight of 566.05 g/mol. Its IUPAC name is 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882754
Molecular FormulaC34H28ClNO5
Molecular Weight566.05 g/mol
Exact Mass565.17
IUPAC Name7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C34H28ClNO5/c1-21-17-29-27(19-28(21)35)32(37)30-31(24-9-6-10-26(18-24)40-20-23-7-4-3-5-8-23)36(34(38)33(30)41-29)16-15-22-11-13-25(39-2)14-12-22/h3-14,17-19,31H,15-16,20H2,1-2H3
InChIKeyHVSJEJUOMUMDJD-UHFFFAOYSA-N
XLogP7.13
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.05
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(2-methoxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882185
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882098
2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882864
7-chloro-2-[(4-methoxyphenyl)methyl]-6-methyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882715
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882479
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954335
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-7-chloro-1-(3-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882526
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4860329
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882794
6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706796

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882754) is 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HVSJEJUOMUMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28ClNO5/c1-21-17-29-27(19-28(21)35)32(37)30-31(24-9-6-10-26(18-24)40-20-23-7-4-3-5-8-23)36(34(38)33(30)41-29)16-15-22-11-13-25(39-2)14-12-22/h3-14,17-19,31H,15-16,20H2,1-2H3.
What are the key properties of 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 566.05 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).