[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol

C15H16OS — CID 63835401

IUPAC[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
SMILESCc1ccccc1Sc1ccc(CO)cc1C
InChIInChI=1S/C15H16OS/c1-11-5-3-4-6-14(11)17-15-8-7-13(10-16)9-12(15)2/h3-9,16H,10H2,1-2H3
InChIKeyGUZLPJRIXVZVKZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.95
Rot. Bonds3

About [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol

[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol (PubChem CID 63835401) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
PubChem CID63835401
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
SMILESCc1ccccc1Sc1ccc(CO)cc1C
InChIInChI=1S/C15H16OS/c1-11-5-3-4-6-14(11)17-15-8-7-13(10-16)9-12(15)2/h3-9,16H,10H2,1-2H3
InChIKeyGUZLPJRIXVZVKZ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol?
The IUPAC name of [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol (CID 63835401) is [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol is Cc1ccccc1Sc1ccc(CO)cc1C.
What is the InChIKey of [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol?
The InChIKey is GUZLPJRIXVZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-5-3-4-6-14(11)17-15-8-7-13(10-16)9-12(15)2/h3-9,16H,10H2,1-2H3.
What are the key properties of [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol?
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol has a molecular weight of 244.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63835401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).