[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol

C16H18OS — CID 63813831

IUPAC[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
SMILESCc1ccc(Sc2ccc(CO)cc2C)c(C)c1
InChIInChI=1S/C16H18OS/c1-11-4-6-15(12(2)8-11)18-16-7-5-14(10-17)9-13(16)3/h4-9,17H,10H2,1-3H3
InChIKeyWHZVXOPOGLWCBC-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.26
Rot. Bonds3

About [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol

[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol (PubChem CID 63813831) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
PubChem CID63813831
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
SMILESCc1ccc(Sc2ccc(CO)cc2C)c(C)c1
InChIInChI=1S/C16H18OS/c1-11-4-6-15(12(2)8-11)18-16-7-5-14(10-17)9-13(16)3/h4-9,17H,10H2,1-3H3
InChIKeyWHZVXOPOGLWCBC-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
CID 63813527
[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 65041243
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 63835210
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
1-hydroxysulfanyl-2,4-dimethylbenzene
CID 117033827
[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
CID 55240038
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol (CID 63813831) is [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol is Cc1ccc(Sc2ccc(CO)cc2C)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol?
The InChIKey is WHZVXOPOGLWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-11-4-6-15(12(2)8-11)18-16-7-5-14(10-17)9-13(16)3/h4-9,17H,10H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol?
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol has a molecular weight of 258.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol is sourced from PubChem (CID 63813831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).