3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol

C21H23NO — CID 91237339

IUPAC3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol
SMILESCC1(CCC(O)c2ccccc2)N=CC=C1Cc1ccccc1
InChIInChI=1S/C21H23NO/c1-21(14-12-20(23)18-10-6-3-7-11-18)19(13-15-22-21)16-17-8-4-2-5-9-17/h2-11,13,15,20,23H,12,14,16H2,1H3
InChIKeyJHAMLORTQRDPGF-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.51
Rot. Bonds6

About 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol

3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol (PubChem CID 91237339) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol
PubChem CID91237339
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol
SMILESCC1(CCC(O)c2ccccc2)N=CC=C1Cc1ccccc1
InChIInChI=1S/C21H23NO/c1-21(14-12-20(23)18-10-6-3-7-11-18)19(13-15-22-21)16-17-8-4-2-5-9-17/h2-11,13,15,20,23H,12,14,16H2,1H3
InChIKeyJHAMLORTQRDPGF-UHFFFAOYSA-N
XLogP4.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol (CID 91237339) is 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol is CC1(CCC(O)c2ccccc2)N=CC=C1Cc1ccccc1.
What is the InChIKey of 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol?
The InChIKey is JHAMLORTQRDPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-21(14-12-20(23)18-10-6-3-7-11-18)19(13-15-22-21)16-17-8-4-2-5-9-17/h2-11,13,15,20,23H,12,14,16H2,1H3.
What are the key properties of 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol?
3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-2-methylpyrrol-2-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 91237339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).