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

C34H28ClNO5 — CID 18853756

IUPAC7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C34H28ClNO5/c1-4-39-29-17-23(11-14-28(29)40-19-22-8-6-5-7-9-22)31-30-32(37)26-18-24(35)12-15-27(26)41-33(30)34(38)36(31)25-13-10-20(2)21(3)16-25/h5-18,31H,4,19H2,1-3H3
InChIKeyBZHWABDQVKWNID-UHFFFAOYSA-N
MW566.05 g/mol
LogP7.79
Rot. Bonds7

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

7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853756) has the molecular formula C34H28ClNO5 and a molecular weight of 566.05 g/mol. Its IUPAC name is 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853756
Molecular FormulaC34H28ClNO5
Molecular Weight566.05 g/mol
Exact Mass565.17
IUPAC Name7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C34H28ClNO5/c1-4-39-29-17-23(11-14-28(29)40-19-22-8-6-5-7-9-22)31-30-32(37)26-18-24(35)12-15-27(26)41-33(30)34(38)36(31)25-13-10-20(2)21(3)16-25/h5-18,31H,4,19H2,1-3H3
InChIKeyBZHWABDQVKWNID-UHFFFAOYSA-N
XLogP7.79
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.05
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853435
2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852760
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855114
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858127
7-bromo-2-(4-bromophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855111
2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857064
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853734
7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819530
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2955646
1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858134

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853756) is 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCc1ccccc1.
What is the InChIKey of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BZHWABDQVKWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28ClNO5/c1-4-39-29-17-23(11-14-28(29)40-19-22-8-6-5-7-9-22)31-30-32(37)26-18-24(35)12-15-27(26)41-33(30)34(38)36(31)25-13-10-20(2)21(3)16-25/h5-18,31H,4,19H2,1-3H3.
What are the key properties of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 566.05 g/mol, XLogP of 7.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).