naphthalen-1-yl(1,4-oxathian-2-yl)methanone

C15H14O2S — CID 79965727

IUPACnaphthalen-1-yl(1,4-oxathian-2-yl)methanone
SMILESO=C(c1cccc2ccccc12)C1CSCCO1
InChIInChI=1S/C15H14O2S/c16-15(14-10-18-9-8-17-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2
InChIKeyUQYOSBIZQFODFO-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.15
Rot. Bonds2

About naphthalen-1-yl(1,4-oxathian-2-yl)methanone

naphthalen-1-yl(1,4-oxathian-2-yl)methanone (PubChem CID 79965727) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is naphthalen-1-yl(1,4-oxathian-2-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl(1,4-oxathian-2-yl)methanone
PubChem CID79965727
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Namenaphthalen-1-yl(1,4-oxathian-2-yl)methanone
SMILESO=C(c1cccc2ccccc12)C1CSCCO1
InChIInChI=1S/C15H14O2S/c16-15(14-10-18-9-8-17-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2
InChIKeyUQYOSBIZQFODFO-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-oxathian-2-yl(1H-pyrrol-2-yl)methanone
CID 130528739
1,4-oxathian-2-yl-(3-propylphenyl)methanone
CID 116543386
[3-(morpholin-4-ylmethyl)-1,4-thiazepan-4-yl]-naphthalen-1-ylmethanone
CID 90569209
(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one
CID 177480692
naphthalen-1-yl-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568465
1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone
CID 102480337
sodium naphthalene-1-carbothioate
CID 134872711
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
CID 113451283
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
CID 64982163
[2-(oxirane-2-carbonyl)phenyl]-(oxiran-2-yl)methanone
CID 141300855
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(1,4-oxathian-2-yl)methanone?
The IUPAC name of naphthalen-1-yl(1,4-oxathian-2-yl)methanone (CID 79965727) is naphthalen-1-yl(1,4-oxathian-2-yl)methanone.
What is the SMILES notation for naphthalen-1-yl(1,4-oxathian-2-yl)methanone?
The canonical SMILES for naphthalen-1-yl(1,4-oxathian-2-yl)methanone is O=C(c1cccc2ccccc12)C1CSCCO1.
What is the InChIKey of naphthalen-1-yl(1,4-oxathian-2-yl)methanone?
The InChIKey is UQYOSBIZQFODFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15(14-10-18-9-8-17-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2.
What are the key properties of naphthalen-1-yl(1,4-oxathian-2-yl)methanone?
naphthalen-1-yl(1,4-oxathian-2-yl)methanone has a molecular weight of 258.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(1,4-oxathian-2-yl)methanone is sourced from PubChem (CID 79965727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).