5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene

C15H18O2S — CID 15365946

IUPAC5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene
SMILESCOc1ccc(OC)c2c(SC)c(C)c(C)cc12
InChIInChI=1S/C15H18O2S/c1-9-8-11-12(16-3)6-7-13(17-4)14(11)15(18-5)10(9)2/h6-8H,1-5H3
InChIKeyZCNIOESSCRMEEM-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.20
Rot. Bonds3

About 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene

5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene (PubChem CID 15365946) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene.

Molecular Properties

Compound Name5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene
PubChem CID15365946
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene
SMILESCOc1ccc(OC)c2c(SC)c(C)c(C)cc12
InChIInChI=1S/C15H18O2S/c1-9-8-11-12(16-3)6-7-13(17-4)14(11)15(18-5)10(9)2/h6-8H,1-5H3
InChIKeyZCNIOESSCRMEEM-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
CID 15362269
1-bromo-3,4-dimethoxy-2-methylsulfanylbenzene
CID 15692127
ethane;1,2,6-trimethoxy-7-methylnaphthalene
CID 143769009
1,4,5,8-tetramethoxynaphthalene
CID 10220551
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
CID 10924795
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
CID 15362253
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
CID 130784452

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene?
The IUPAC name of 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene (CID 15365946) is 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene.
What is the SMILES notation for 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene?
The canonical SMILES for 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene is COc1ccc(OC)c2c(SC)c(C)c(C)cc12.
What is the InChIKey of 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene?
The InChIKey is ZCNIOESSCRMEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-9-8-11-12(16-3)6-7-13(17-4)14(11)15(18-5)10(9)2/h6-8H,1-5H3.
What are the key properties of 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene?
5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene has a molecular weight of 262.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene is sourced from PubChem (CID 15365946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).