1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone

C17H18O3 — CID 10945509

IUPAC1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
SMILESO=C(COC1CCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O3/c18-16(12-20-17-7-3-4-10-19-17)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,17H,3-4,7,10,12H2
InChIKeyHCWTWAAARQVDJS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.57
Rot. Bonds4

About 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone

1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone (PubChem CID 10945509) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
PubChem CID10945509
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
SMILESO=C(COC1CCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O3/c18-16(12-20-17-7-3-4-10-19-17)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,17H,3-4,7,10,12H2
InChIKeyHCWTWAAARQVDJS-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (naphthalen-1-yl)(oxo)acetate
CID 2736455
(2-Naphthalen-2-yl-2-oxoethyl) 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 2934682
2-Naphthalenyl(tetrahydro-2H-pyran-4-yl)methanone
CID 63936878
Ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 13368011
2-methoxy-6-[(2R,4R)-2-[(2R,5S)-5-(6-methoxy-3-methyl-5,8-dioxonaphthalen-2-yl)oxan-2-yl]oxyoxan-4-yl]-7-methylnaphthalene-1,4-dione
CID 162903852
(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione
CID 163046356
1,4-Anthracenedione, 2-(1-methylethoxy)-
CID 13627999
Phenacyl (1-naphthylacetoxy)acetate
CID 85999025
(2-Naphthalen-1-yl-2-oxoethyl) cyclohexanecarboxylate
CID 2345742
2,2-Dimethoxy-1-naphthalen-2-ylethanone
CID 14662913
Ethyl 2-naphthoyl formate
CID 2736454
Methyl 2-(naphthalen-2-yl)-2-oxoacetate
CID 3726008

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone?
The IUPAC name of 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone (CID 10945509) is 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone.
What is the SMILES notation for 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone?
The canonical SMILES for 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone is O=C(COC1CCCCO1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone?
The InChIKey is HCWTWAAARQVDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-16(12-20-17-7-3-4-10-19-17)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11,17H,3-4,7,10,12H2.
What are the key properties of 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone?
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone is sourced from PubChem (CID 10945509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).