2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone

C13H17NO3 — CID 111432313

IUPAC2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
SMILESCC1COCCN1C(=O)C(O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10-9-17-8-7-14(10)13(16)12(15)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3
InChIKeyYBDRUTUXENKVJD-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.97
Rot. Bonds2

About 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone

2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone (PubChem CID 111432313) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
PubChem CID111432313
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
SMILESCC1COCCN1C(=O)C(O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10-9-17-8-7-14(10)13(16)12(15)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3
InChIKeyYBDRUTUXENKVJD-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone (CID 111432313) is 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone is CC1COCCN1C(=O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone?
The InChIKey is YBDRUTUXENKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-17-8-7-14(10)13(16)12(15)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3.
What are the key properties of 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone?
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone has a molecular weight of 235.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone is sourced from PubChem (CID 111432313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).