2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene

C18H24OS — CID 90264222

IUPAC2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene
SMILESCOc1c(SC)c(C)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H24OS/c1-9-10(2)12(4)16-14(6)18(20-8)17(19-7)13(5)15(16)11(9)3/h1-8H3
InChIKeyXMPFPZWICSAHBT-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.42
Rot. Bonds2

About 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene

2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene (PubChem CID 90264222) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene.

Molecular Properties

Compound Name2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene
PubChem CID90264222
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene
SMILESCOc1c(SC)c(C)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H24OS/c1-9-10(2)12(4)16-14(6)18(20-8)17(19-7)13(5)15(16)11(9)3/h1-8H3
InChIKeyXMPFPZWICSAHBT-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene?
The IUPAC name of 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene (CID 90264222) is 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene.
What is the SMILES notation for 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene?
The canonical SMILES for 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene is COc1c(SC)c(C)c2c(C)c(C)c(C)c(C)c2c1C.
What is the InChIKey of 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene?
The InChIKey is XMPFPZWICSAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-9-10(2)12(4)16-14(6)18(20-8)17(19-7)13(5)15(16)11(9)3/h1-8H3.
What are the key properties of 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene?
2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene has a molecular weight of 288.46 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene is sourced from PubChem (CID 90264222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).