6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O2S — CID 12067529

IUPAC6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(SC)C2=O
InChIInChI=1S/C12H14O2S/c1-14-9-4-5-10-8(7-9)3-6-11(15-2)12(10)13/h4-5,7,11H,3,6H2,1-2H3
InChIKeyHOFJXOAEERILLY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.56
Rot. Bonds2

About 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 12067529) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID12067529
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(SC)C2=O
InChIInChI=1S/C12H14O2S/c1-14-9-4-5-10-8(7-9)3-6-11(15-2)12(10)13/h4-5,7,11H,3,6H2,1-2H3
InChIKeyHOFJXOAEERILLY-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
2-(furan-2-yl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14084383
6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84627517
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl) 2-chloroacetate
CID 14691845
2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-oxopropanoic acid
CID 163993738
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 86574848
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 70957135
ethyl 2-[(2R)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-2-oxoacetate
CID 98108126
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one (CID 12067529) is 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(SC)C2=O.
What is the InChIKey of 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HOFJXOAEERILLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-14-9-4-5-10-8(7-9)3-6-11(15-2)12(10)13/h4-5,7,11H,3,6H2,1-2H3.
What are the key properties of 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 222.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 12067529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).