1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one

C15H21NO4 — CID 81208321

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H21NO4/c1-12(20-11-13-5-3-2-4-6-13)15(18)16-7-8-19-14(9-16)10-17/h2-6,12,14,17H,7-11H2,1H3
InChIKeyRXSMPMZAKDPDLQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds5

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one

1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one (PubChem CID 81208321) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
PubChem CID81208321
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H21NO4/c1-12(20-11-13-5-3-2-4-6-13)15(18)16-7-8-19-14(9-16)10-17/h2-6,12,14,17H,7-11H2,1H3
InChIKeyRXSMPMZAKDPDLQ-UHFFFAOYSA-N
XLogP0.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81203805
2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43428067
2-benzyl-3-[2-(hydroxymethyl)morpholin-4-yl]-3-oxopropanenitrile
CID 81203125
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
phenyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81218922
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one (CID 81208321) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one is CC(OCc1ccccc1)C(=O)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one?
The InChIKey is RXSMPMZAKDPDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-12(20-11-13-5-3-2-4-6-13)15(18)16-7-8-19-14(9-16)10-17/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one has a molecular weight of 279.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 81208321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).