2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol

C16H20OS — CID 65136583

IUPAC2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
SMILESCCC(C)SCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20OS/c1-3-12(2)18-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-17H,3,11H2,1-2H3
InChIKeyWWJYVWABZCFHGT-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.40
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol

2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol (PubChem CID 65136583) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
PubChem CID65136583
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
SMILESCCC(C)SCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20OS/c1-3-12(2)18-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-17H,3,11H2,1-2H3
InChIKeyWWJYVWABZCFHGT-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-butan-2-ylsulfanyl-1-(3-chloro-4-methylphenyl)ethanol
CID 107560040
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
2-butan-2-ylsulfanyl-1-naphthalen-1-ylethanol
CID 65136052
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
2-butan-2-ylsulfanyl-1-(4-chloro-3-methoxyphenyl)ethanol
CID 79699095
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944
2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 114519052
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol (CID 65136583) is 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol is CCC(C)SCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol?
The InChIKey is WWJYVWABZCFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-3-12(2)18-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-17H,3,11H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol?
2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol has a molecular weight of 260.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol is sourced from PubChem (CID 65136583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).