2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol

C15H21NO2 — CID 141180264

IUPAC2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol
SMILESCC(C)(O)C1=CCN(COCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-15(2,17)14-8-9-16(10-14)12-18-11-13-6-4-3-5-7-13/h3-8,17H,9-12H2,1-2H3
InChIKeyNVJSHYBOKUBUIQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds5

About 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol

2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol (PubChem CID 141180264) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol
PubChem CID141180264
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol
SMILESCC(C)(O)C1=CCN(COCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-15(2,17)14-8-9-16(10-14)12-18-11-13-6-4-3-5-7-13/h3-8,17H,9-12H2,1-2H3
InChIKeyNVJSHYBOKUBUIQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
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CID 140988920
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-hydroxy-2-methyl-3-oxo-4-phenylmethoxybutanoic acid
CID 175175859
ethane;phenylmethoxymethylbenzene
CID 90943549
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
4-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 19960260
[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
CID 123481492
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol (CID 141180264) is 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol is CC(C)(O)C1=CCN(COCc2ccccc2)C1.
What is the InChIKey of 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol?
The InChIKey is NVJSHYBOKUBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,17)14-8-9-16(10-14)12-18-11-13-6-4-3-5-7-13/h3-8,17H,9-12H2,1-2H3.
What are the key properties of 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol?
2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol has a molecular weight of 247.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol is sourced from PubChem (CID 141180264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).