1-morpholin-4-yl-3-phenylmethoxypropan-2-ol

C14H21NO3 — CID 2817987

IUPAC1-morpholin-4-yl-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCOCC1
InChIInChI=1S/C14H21NO3/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2
InChIKeyAFOBAUYOOAMFMF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.90
Rot. Bonds6

About 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol

1-morpholin-4-yl-3-phenylmethoxypropan-2-ol (PubChem CID 2817987) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-phenylmethoxypropan-2-ol
PubChem CID2817987
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-morpholin-4-yl-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCOCC1
InChIInChI=1S/C14H21NO3/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2
InChIKeyAFOBAUYOOAMFMF-UHFFFAOYSA-N
XLogP0.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol (CID 2817987) is 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol?
The InChIKey is AFOBAUYOOAMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2.
What are the key properties of 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol?
1-morpholin-4-yl-3-phenylmethoxypropan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 2817987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).