1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol

C14H21NO3 — CID 113251778

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCOC(CO)C1)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(17,12-5-3-2-4-6-12)11-15-7-8-18-13(9-15)10-16/h2-6,13,16-17H,7-11H2,1H3
InChIKeyVNOOSPRSVZREBP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.59
Rot. Bonds4

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol

1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol (PubChem CID 113251778) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
PubChem CID113251778
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCOC(CO)C1)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(17,12-5-3-2-4-6-12)11-15-7-8-18-13(9-15)10-16/h2-6,13,16-17H,7-11H2,1H3
InChIKeyVNOOSPRSVZREBP-UHFFFAOYSA-N
XLogP0.59
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610148
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 98763931
2-methyl-3-(2-methylmorpholin-4-yl)-2-phenylpropan-1-ol
CID 62271259
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
CID 116695777
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol (CID 113251778) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol is CC(O)(CN1CCOC(CO)C1)c1ccccc1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol?
The InChIKey is VNOOSPRSVZREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(17,12-5-3-2-4-6-12)11-15-7-8-18-13(9-15)10-16/h2-6,13,16-17H,7-11H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 113251778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).