1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one

C15H16O3 — CID 142273790

IUPAC1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
SMILESCCOc1ccc2ccccc2c1C(O)C(C)=O
InChIInChI=1S/C15H16O3/c1-3-18-13-9-8-11-6-4-5-7-12(11)14(13)15(17)10(2)16/h4-9,15,17H,3H2,1-2H3
InChIKeyXPKRTBUDYXTSBF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one

1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one (PubChem CID 142273790) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
PubChem CID142273790
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
SMILESCCOc1ccc2ccccc2c1C(O)C(C)=O
InChIInChI=1S/C15H16O3/c1-3-18-13-9-8-11-6-4-5-7-12(11)14(13)15(17)10(2)16/h4-9,15,17H,3H2,1-2H3
InChIKeyXPKRTBUDYXTSBF-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
CID 171213419
1-(2-ethoxynaphthalen-1-yl)-3-sulfanylpropane-1,2-diol
CID 170821052
3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol
CID 170829187
ethyl (3S)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2-fluoropropanoate
CID 171250846
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
ethyl (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2,2-difluoropropanoate;hydrochloride
CID 171244101
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one?
The IUPAC name of 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one (CID 142273790) is 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one.
What is the SMILES notation for 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one?
The canonical SMILES for 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one is CCOc1ccc2ccccc2c1C(O)C(C)=O.
What is the InChIKey of 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one?
The InChIKey is XPKRTBUDYXTSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-18-13-9-8-11-6-4-5-7-12(11)14(13)15(17)10(2)16/h4-9,15,17H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one?
1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one is sourced from PubChem (CID 142273790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).