5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole

C20H17Cl2NO2 — CID 58211935

IUPAC5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole
SMILESCOc1ccc(/C=C/C2=NC(c3ccc(Cl)cc3Cl)=CC2)cc1OC
InChIInChI=1S/C20H17Cl2NO2/c1-24-19-10-4-13(11-20(19)25-2)3-6-15-7-9-18(23-15)16-8-5-14(21)12-17(16)22/h3-6,8-12H,7H2,1-2H3/b6-3+
InChIKeyUUPVWVUGBHNZFC-ZZXKWVIFSA-N
MW374.27 g/mol
LogP5.91
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole

5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole (PubChem CID 58211935) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole
PubChem CID58211935
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole
SMILESCOc1ccc(/C=C/C2=NC(c3ccc(Cl)cc3Cl)=CC2)cc1OC
InChIInChI=1S/C20H17Cl2NO2/c1-24-19-10-4-13(11-20(19)25-2)3-6-15-7-9-18(23-15)16-8-5-14(21)12-17(16)22/h3-6,8-12H,7H2,1-2H3/b6-3+
InChIKeyUUPVWVUGBHNZFC-ZZXKWVIFSA-N
XLogP5.91
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole (CID 58211935) is 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole is COc1ccc(/C=C/C2=NC(c3ccc(Cl)cc3Cl)=CC2)cc1OC.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole?
The InChIKey is UUPVWVUGBHNZFC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-24-19-10-4-13(11-20(19)25-2)3-6-15-7-9-18(23-15)16-8-5-14(21)12-17(16)22/h3-6,8-12H,7H2,1-2H3/b6-3+.
What are the key properties of 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole?
5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole has a molecular weight of 374.27 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3H-pyrrole is sourced from PubChem (CID 58211935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).