2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol

C17H23NO — CID 57069278

IUPAC2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
SMILESCC(C)(CCc1ccccc1)C1(CCO)C=CC=N1
InChIInChI=1S/C17H23NO/c1-16(2,11-9-15-7-4-3-5-8-15)17(12-14-19)10-6-13-18-17/h3-8,10,13,19H,9,11-12,14H2,1-2H3
InChIKeyMYDKXNLXWHAWDC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol

2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol (PubChem CID 57069278) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
PubChem CID57069278
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
SMILESCC(C)(CCc1ccccc1)C1(CCO)C=CC=N1
InChIInChI=1S/C17H23NO/c1-16(2,11-9-15-7-4-3-5-8-15)17(12-14-19)10-6-13-18-17/h3-8,10,13,19H,9,11-12,14H2,1-2H3
InChIKeyMYDKXNLXWHAWDC-UHFFFAOYSA-N
XLogP3.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide
CID 57039365
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
CID 65378027
2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
3,3-bis(tert-butylperoxy)butylbenzene
CID 139605327
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol (CID 57069278) is 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol is CC(C)(CCc1ccccc1)C1(CCO)C=CC=N1.
What is the InChIKey of 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol?
The InChIKey is MYDKXNLXWHAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,11-9-15-7-4-3-5-8-15)17(12-14-19)10-6-13-18-17/h3-8,10,13,19H,9,11-12,14H2,1-2H3.
What are the key properties of 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol?
2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol has a molecular weight of 257.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol is sourced from PubChem (CID 57069278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).