1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol

C14H16OS — CID 116830253

IUPAC1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol
SMILESCSCC(O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C14H16OS/c1-10-3-4-12-8-13(14(15)9-16-2)6-5-11(12)7-10/h3-8,14-15H,9H2,1-2H3
InChIKeyOGRADRSEWBXALX-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.54
Rot. Bonds3

About 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol

1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol (PubChem CID 116830253) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol
PubChem CID116830253
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol
SMILESCSCC(O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C14H16OS/c1-10-3-4-12-8-13(14(15)9-16-2)6-5-11(12)7-10/h3-8,14-15H,9H2,1-2H3
InChIKeyOGRADRSEWBXALX-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol?
The IUPAC name of 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol (CID 116830253) is 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol is CSCC(O)c1ccc2cc(C)ccc2c1.
What is the InChIKey of 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol?
The InChIKey is OGRADRSEWBXALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10-3-4-12-8-13(14(15)9-16-2)6-5-11(12)7-10/h3-8,14-15H,9H2,1-2H3.
What are the key properties of 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol?
1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol has a molecular weight of 232.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol is sourced from PubChem (CID 116830253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).