1-naphthalen-2-yl-2-propan-2-yloxyethanone

C15H16O2 — CID 79567011

IUPAC1-naphthalen-2-yl-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-11(2)17-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
InChIKeyDCKMCWWFHHXOJK-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.45
Rot. Bonds4

About 1-naphthalen-2-yl-2-propan-2-yloxyethanone

1-naphthalen-2-yl-2-propan-2-yloxyethanone (PubChem CID 79567011) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-propan-2-yloxyethanone
PubChem CID79567011
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-naphthalen-2-yl-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-11(2)17-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
InChIKeyDCKMCWWFHHXOJK-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone
CID 18387007
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-propan-2-yloxyethanone?
The IUPAC name of 1-naphthalen-2-yl-2-propan-2-yloxyethanone (CID 79567011) is 1-naphthalen-2-yl-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-naphthalen-2-yl-2-propan-2-yloxyethanone?
The canonical SMILES for 1-naphthalen-2-yl-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-propan-2-yloxyethanone?
The InChIKey is DCKMCWWFHHXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(2)17-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-naphthalen-2-yl-2-propan-2-yloxyethanone?
1-naphthalen-2-yl-2-propan-2-yloxyethanone has a molecular weight of 228.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-propan-2-yloxyethanone is sourced from PubChem (CID 79567011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).