1-(4-methylsulfanylphenyl)ethanol

C9H12OS — CID 43198999

IUPAC1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(C)O)cc1
InChIInChI=1S/C9H12OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
InChIKeyXRCBEPLEVWVPAD-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.46
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)ethanol

1-(4-methylsulfanylphenyl)ethanol (PubChem CID 43198999) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)ethanol
PubChem CID43198999
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(C)O)cc1
InChIInChI=1S/C9H12OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
InChIKeyXRCBEPLEVWVPAD-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 1-(4-methylsulfanylphenyl)ethanol (CID 43198999) is 1-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(C)O)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)ethanol?
The InChIKey is XRCBEPLEVWVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)ethanol?
1-(4-methylsulfanylphenyl)ethanol has a molecular weight of 168.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 43198999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).