4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole

C21H23NO — CID 67534335

IUPAC4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c[nH]2)cc1
InChIInChI=1S/C21H23NO/c1-21(2,3)18-9-5-15(6-10-18)17-13-20(22-14-17)16-7-11-19(23-4)12-8-16/h5-14,22H,1-4H3
InChIKeyWCTZZWHUWIYXND-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.65
Rot. Bonds3

About 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole

4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole (PubChem CID 67534335) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
PubChem CID67534335
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c[nH]2)cc1
InChIInChI=1S/C21H23NO/c1-21(2,3)18-9-5-15(6-10-18)17-13-20(22-14-17)16-7-11-19(23-4)12-8-16/h5-14,22H,1-4H3
InChIKeyWCTZZWHUWIYXND-UHFFFAOYSA-N
XLogP5.65
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole
CID 102186153
4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 66617181
4-(4-tert-butylphenyl)-1H-pyrrol-2-ol
CID 174186244
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenoxy]benzene;1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]benzene;1-methoxy-4-(4-methoxyphenyl)benzene
CID 158471976
2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
CID 118529838
4-(4-tert-butylphenyl)-1H-pyrrole-2-carbonitrile
CID 117001400
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide
CID 68636010

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole (CID 67534335) is 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole is COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c[nH]2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The InChIKey is WCTZZWHUWIYXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-21(2,3)18-9-5-15(6-10-18)17-13-20(22-14-17)16-7-11-19(23-4)12-8-16/h5-14,22H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole has a molecular weight of 305.42 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 67534335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).