1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone

C14H14O2S — CID 147751459

IUPAC1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
SMILESCOc1ccc(C(=O)CSC)c2ccccc12
InChIInChI=1S/C14H14O2S/c1-16-14-8-7-11(13(15)9-17-2)10-5-3-4-6-12(10)14/h3-8H,9H2,1-2H3
InChIKeyHCGXGJHXMZGWFP-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone

1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone (PubChem CID 147751459) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
PubChem CID147751459
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
SMILESCOc1ccc(C(=O)CSC)c2ccccc12
InChIInChI=1S/C14H14O2S/c1-16-14-8-7-11(13(15)9-17-2)10-5-3-4-6-12(10)14/h3-8H,9H2,1-2H3
InChIKeyHCGXGJHXMZGWFP-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
[2-(4-methoxynaphthalen-1-yl)-2-oxoethyl]-methyl-(trifluoromethyl)sulfanium;methylsulfanylmethane
CID 171929339
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
CID 46307754
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
CID 71587270
1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone
CID 65434990
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
4-(4-methoxynaphthalen-1-yl)-2,2,3,3-tetramethyl-4-oxobutanoic acid
CID 18323583
methyl (E)-4-(4-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550322

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone (CID 147751459) is 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone is COc1ccc(C(=O)CSC)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone?
The InChIKey is HCGXGJHXMZGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-14-8-7-11(13(15)9-17-2)10-5-3-4-6-12(10)14/h3-8H,9H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone?
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone has a molecular weight of 246.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 147751459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).