2-(2-benzylpyrrol-2-yl)ethanol

C13H15NO — CID 56995075

IUPAC2-(2-benzylpyrrol-2-yl)ethanol
SMILESOCCC1(Cc2ccccc2)C=CC=N1
InChIInChI=1S/C13H15NO/c15-10-8-13(7-4-9-14-13)11-12-5-2-1-3-6-12/h1-7,9,15H,8,10-11H2
InChIKeyBZBOEUWVKNCPTK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-benzylpyrrol-2-yl)ethanol

2-(2-benzylpyrrol-2-yl)ethanol (PubChem CID 56995075) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-benzylpyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-benzylpyrrol-2-yl)ethanol
PubChem CID56995075
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(2-benzylpyrrol-2-yl)ethanol
SMILESOCCC1(Cc2ccccc2)C=CC=N1
InChIInChI=1S/C13H15NO/c15-10-8-13(7-4-9-14-13)11-12-5-2-1-3-6-12/h1-7,9,15H,8,10-11H2
InChIKeyBZBOEUWVKNCPTK-UHFFFAOYSA-N
XLogP1.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ST026286
CID 3251128
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
(3-Phenyl-2H-aziren-2-yl)methanol
CID 318519
2-[2-[1-Phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
CID 57262496
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
[4-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
CID 70117167
2-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-4-ol
CID 90996519
2-[(2-Benzylpyrrol-2-yl)methyl]-3,3,3-trifluoropropane-1,2-diol
CID 91481850
(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol
CID 102498820
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-[2-(2-Methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
CID 57069278

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrol-2-yl)ethanol?
The IUPAC name of 2-(2-benzylpyrrol-2-yl)ethanol (CID 56995075) is 2-(2-benzylpyrrol-2-yl)ethanol.
What is the SMILES notation for 2-(2-benzylpyrrol-2-yl)ethanol?
The canonical SMILES for 2-(2-benzylpyrrol-2-yl)ethanol is OCCC1(Cc2ccccc2)C=CC=N1.
What is the InChIKey of 2-(2-benzylpyrrol-2-yl)ethanol?
The InChIKey is BZBOEUWVKNCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-8-13(7-4-9-14-13)11-12-5-2-1-3-6-12/h1-7,9,15H,8,10-11H2.
What are the key properties of 2-(2-benzylpyrrol-2-yl)ethanol?
2-(2-benzylpyrrol-2-yl)ethanol has a molecular weight of 201.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrol-2-yl)ethanol is sourced from PubChem (CID 56995075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).