1-[4-(2-methylphenyl)sulfanylphenyl]ethanol

C15H16OS — CID 63835400

IUPAC1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccccc1Sc1ccc(C(C)O)cc1
InChIInChI=1S/C15H16OS/c1-11-5-3-4-6-15(11)17-14-9-7-13(8-10-14)12(2)16/h3-10,12,16H,1-2H3
InChIKeyXQLQNIPVSYGXBL-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.20
Rot. Bonds3

About 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol

1-[4-(2-methylphenyl)sulfanylphenyl]ethanol (PubChem CID 63835400) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
PubChem CID63835400
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccccc1Sc1ccc(C(C)O)cc1
InChIInChI=1S/C15H16OS/c1-11-5-3-4-6-15(11)17-14-9-7-13(8-10-14)12(2)16/h3-10,12,16H,1-2H3
InChIKeyXQLQNIPVSYGXBL-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol (CID 63835400) is 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol is Cc1ccccc1Sc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol?
The InChIKey is XQLQNIPVSYGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-5-3-4-6-15(11)17-14-9-7-13(8-10-14)12(2)16/h3-10,12,16H,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol?
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol has a molecular weight of 244.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63835400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).