1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one

C15H21NO4 — CID 81208849

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C15H21NO4/c1-12-3-2-4-13(9-12)19-7-5-15(18)16-6-8-20-14(10-16)11-17/h2-4,9,14,17H,5-8,10-11H2,1H3
InChIKeyQCRQNKYZXYMMRV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one

1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one (PubChem CID 81208849) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
PubChem CID81208849
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C15H21NO4/c1-12-3-2-4-13(9-12)19-7-5-15(18)16-6-8-20-14(10-16)11-17/h2-4,9,14,17H,5-8,10-11H2,1H3
InChIKeyQCRQNKYZXYMMRV-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209418
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
4-methyl-1-[3-(3-methylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63720461
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 79867710
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 81196262
1-[3-(aminomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 119464975
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one (CID 81208849) is 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one is Cc1cccc(OCCC(=O)N2CCOC(CO)C2)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one?
The InChIKey is QCRQNKYZXYMMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-12-3-2-4-13(9-12)19-7-5-15(18)16-6-8-20-14(10-16)11-17/h2-4,9,14,17H,5-8,10-11H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one?
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 0.98, 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]-3-(3-methylphenoxy)propan-1-one is sourced from PubChem (CID 81208849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).