2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole

C22H21NO2 — CID 22971799

IUPAC2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole
SMILESC=C(c1ccc(OC)cc1)c1ccc(C(=C)c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C22H21NO2/c1-15(17-5-9-19(24-3)10-6-17)21-13-14-22(23-21)16(2)18-7-11-20(25-4)12-8-18/h5-14,23H,1-2H2,3-4H3
InChIKeyGWJRTOREDVYQDI-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.15
Rot. Bonds6

About 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole

2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole (PubChem CID 22971799) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole
PubChem CID22971799
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole
SMILESC=C(c1ccc(OC)cc1)c1ccc(C(=C)c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C22H21NO2/c1-15(17-5-9-19(24-3)10-6-17)21-13-14-22(23-21)16(2)18-7-11-20(25-4)12-8-18/h5-14,23H,1-2H2,3-4H3
InChIKeyGWJRTOREDVYQDI-UHFFFAOYSA-N
XLogP5.15
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
2-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylbenzene
CID 165346994
1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 162199896
2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 10890406
1-methoxy-4-[1-(2-methylphenyl)ethenyl]benzene
CID 25187424
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
1-methoxy-4-(1-phenoxyethenyl)benzene
CID 89029241
CID 12714057
CID 12714057
1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
CID 101367118

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
The IUPAC name of 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole (CID 22971799) is 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
The canonical SMILES for 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole is C=C(c1ccc(OC)cc1)c1ccc(C(=C)c2ccc(OC)cc2)[nH]1.
What is the InChIKey of 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
The InChIKey is GWJRTOREDVYQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15(17-5-9-19(24-3)10-6-17)21-13-14-22(23-21)16(2)18-7-11-20(25-4)12-8-18/h5-14,23H,1-2H2,3-4H3.
What are the key properties of 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole has a molecular weight of 331.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 22971799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).