1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol

C14H21NO2 — CID 648397

IUPAC1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyGPGFZYXTSUJNFM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds6

About 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol

1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 648397) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID648397
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyGPGFZYXTSUJNFM-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol (CID 648397) is 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol is OC(COCc1ccccc1)CN1CCCC1.
What is the InChIKey of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is GPGFZYXTSUJNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2.
What are the key properties of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 648397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).