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

C33H26ClNO5 — CID 18853435

IUPAC7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C33H26ClNO5/c1-19-9-12-24(15-20(19)2)35-30(29-31(36)25-17-23(34)11-14-26(25)40-32(29)33(35)37)22-10-13-27(28(16-22)38-3)39-18-21-7-5-4-6-8-21/h4-17,30H,18H2,1-3H3
InChIKeyUPSWWXBVZDWCBJ-UHFFFAOYSA-N
MW552.03 g/mol
LogP7.40
Rot. Bonds6

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

7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853435) has the molecular formula C33H26ClNO5 and a molecular weight of 552.03 g/mol. Its IUPAC name is 7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853435
Molecular FormulaC33H26ClNO5
Molecular Weight552.03 g/mol
Exact Mass551.15
IUPAC Name7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C33H26ClNO5/c1-19-9-12-24(15-20(19)2)35-30(29-31(36)25-17-23(34)11-14-26(25)40-32(29)33(35)37)22-10-13-27(28(16-22)38-3)39-18-21-7-5-4-6-8-21/h4-17,30H,18H2,1-3H3
InChIKeyUPSWWXBVZDWCBJ-UHFFFAOYSA-N
XLogP7.40
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.03
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853756
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440
7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819530
2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852760
2-(4-methoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857791
7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854291
(1S)-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2067920
2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857802
2-(4-acetylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856807
2-(5-chloro-2-pyridinyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819144
1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819288

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853435) is 7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-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-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(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-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UPSWWXBVZDWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26ClNO5/c1-19-9-12-24(15-20(19)2)35-30(29-31(36)25-17-23(34)11-14-26(25)40-32(29)33(35)37)22-10-13-27(28(16-22)38-3)39-18-21-7-5-4-6-8-21/h4-17,30H,18H2,1-3H3.
What are the key properties of 7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 552.03 g/mol, XLogP of 7.40, 6 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-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).