1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one

C17H20O3 — CID 101017960

IUPAC1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one
SMILESCCC(=O)C(OC)O[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O3/c1-4-16(18)17(19-3)20-12(2)14-10-9-13-7-5-6-8-15(13)11-14/h5-12,17H,4H2,1-3H3/t12-,17?/m1/s1
InChIKeyFSLXTPJOENLFGA-MTATWXBHSA-N
MW272.34 g/mol
LogP3.87
Rot. Bonds6

About 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one

1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one (PubChem CID 101017960) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one.

Molecular Properties

Compound Name1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one
PubChem CID101017960
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one
SMILESCCC(=O)C(OC)O[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O3/c1-4-16(18)17(19-3)20-12(2)14-10-9-13-7-5-6-8-15(13)11-14/h5-12,17H,4H2,1-3H3/t12-,17?/m1/s1
InChIKeyFSLXTPJOENLFGA-MTATWXBHSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-ylethyl pentanoate
CID 46886522
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
CID 70916217
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-naphthalen-2-ylbutanoic acid
CID 27266
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
[(1S)-2-bromo-1-naphthalen-2-ylethyl] propanoate
CID 177415384

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one?
The IUPAC name of 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one (CID 101017960) is 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one.
What is the SMILES notation for 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one?
The canonical SMILES for 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one is CCC(=O)C(OC)O[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one?
The InChIKey is FSLXTPJOENLFGA-MTATWXBHSA-N. The full InChI is InChI=1S/C17H20O3/c1-4-16(18)17(19-3)20-12(2)14-10-9-13-7-5-6-8-15(13)11-14/h5-12,17H,4H2,1-3H3/t12-,17?/m1/s1.
What are the key properties of 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one?
1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one has a molecular weight of 272.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-[(1R)-1-naphthalen-2-ylethoxy]butan-2-one is sourced from PubChem (CID 101017960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).