2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol

C18H20N2O — CID 142524653

IUPAC2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol
SMILESCC(C)(C)c1c[nH]c(-c2cccc(-c3ccc[nH]3)c2O)c1
InChIInChI=1S/C18H20N2O/c1-18(2,3)12-10-16(20-11-12)14-7-4-6-13(17(14)21)15-8-5-9-19-15/h4-11,19-21H,1-3H3
InChIKeyIUFFUTIKWXVEKX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.68
Rot. Bonds2

About 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol

2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol (PubChem CID 142524653) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol.

Molecular Properties

Compound Name2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol
PubChem CID142524653
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol
SMILESCC(C)(C)c1c[nH]c(-c2cccc(-c3ccc[nH]3)c2O)c1
InChIInChI=1S/C18H20N2O/c1-18(2,3)12-10-16(20-11-12)14-7-4-6-13(17(14)21)15-8-5-9-19-15/h4-11,19-21H,1-3H3
InChIKeyIUFFUTIKWXVEKX-UHFFFAOYSA-N
XLogP4.68
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1H-pyrrol-2-yl)naphthalen-1-ol
CID 57034694
2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol
CID 11217685
4-tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-(1H-pyrrol-2-yl)phenol
CID 140549434
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
2,3-bis(4-tert-butylphenyl)-5,8-bis(1H-pyrrol-2-yl)quinoxaline
CID 102173117
copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol
CID 135967337
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
CID 163645607
3-bromo-4-(1H-pyrrol-2-yl)phenol
CID 162412006
N-methyl-2-(1H-pyrrol-2-yl)aniline
CID 163362412
4-(hydroxymethyl)-2-(1H-pyrrol-2-yl)phenol
CID 174468832
2-(3-chloro-2-fluorophenyl)-1H-pyrrole
CID 137332738
2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
CID 169050387

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol?
The IUPAC name of 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol (CID 142524653) is 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol.
What is the SMILES notation for 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol?
The canonical SMILES for 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol is CC(C)(C)c1c[nH]c(-c2cccc(-c3ccc[nH]3)c2O)c1.
What is the InChIKey of 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol?
The InChIKey is IUFFUTIKWXVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)12-10-16(20-11-12)14-7-4-6-13(17(14)21)15-8-5-9-19-15/h4-11,19-21H,1-3H3.
What are the key properties of 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol?
2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol has a molecular weight of 280.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1H-pyrrol-2-yl)-6-(1H-pyrrol-2-yl)phenol is sourced from PubChem (CID 142524653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).