1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone

C17H19NO3 — CID 81196890

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCOC(CO)C1
InChIInChI=1S/C17H19NO3/c19-12-16-11-18(7-8-21-16)17(20)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,16,19H,7-8,10-12H2
InChIKeyVOJKKCXLMWLDSX-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.60
Rot. Bonds3

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone (PubChem CID 81196890) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
PubChem CID81196890
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCOC(CO)C1
InChIInChI=1S/C17H19NO3/c19-12-16-11-18(7-8-21-16)17(20)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,16,19H,7-8,10-12H2
InChIKeyVOJKKCXLMWLDSX-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
1-[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 110112851
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 81209298
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone (CID 81196890) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
The InChIKey is VOJKKCXLMWLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-16-11-18(7-8-21-16)17(20)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,16,19H,7-8,10-12H2.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone has a molecular weight of 285.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 81196890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).