1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol

C15H19NO — CID 121230476

IUPAC1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESCC(C)c1cccc(C(C)(O)c2ccc[nH]2)c1
InChIInChI=1S/C15H19NO/c1-11(2)12-6-4-7-13(10-12)15(3,17)14-8-5-9-16-14/h4-11,16-17H,1-3H3
InChIKeyPHOOAZSUBPETOT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol

1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 121230476) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol
PubChem CID121230476
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESCC(C)c1cccc(C(C)(O)c2ccc[nH]2)c1
InChIInChI=1S/C15H19NO/c1-11(2)12-6-4-7-13(10-12)15(3,17)14-8-5-9-16-14/h4-11,16-17H,1-3H3
InChIKeyPHOOAZSUBPETOT-UHFFFAOYSA-N
XLogP3.39
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
CID 164919043
2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
CID 56993717
1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol
CID 121226356
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one
CID 24765128
[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol
CID 139592643
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-2-(3-propan-2-ylphenyl)nonan-2-ol
CID 162347393
1-(2-methyl-2-phenylpropyl)-3-propan-2-ylbenzene
CID 145484957
2,3-di(propan-2-yl)-5-(3-propan-2-ylphenyl)thiophene
CID 58462658

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol (CID 121230476) is 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol is CC(C)c1cccc(C(C)(O)c2ccc[nH]2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is PHOOAZSUBPETOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(2)12-6-4-7-13(10-12)15(3,17)14-8-5-9-16-14/h4-11,16-17H,1-3H3.
What are the key properties of 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 229.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 121230476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).