(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C15H13F3OS — CID 63894922

IUPAC(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCc1cccc(C(O)c2ccc(SC(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F3OS/c1-10-3-2-4-12(9-10)14(19)11-5-7-13(8-6-11)20-15(16,17)18/h2-9,14,19H,1H3
InChIKeyLQNXKTBKUIGOEB-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.69
Rot. Bonds3

About (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63894922) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63894922
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCc1cccc(C(O)c2ccc(SC(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F3OS/c1-10-3-2-4-12(9-10)14(19)11-5-7-13(8-6-11)20-15(16,17)18/h2-9,14,19H,1H3
InChIKeyLQNXKTBKUIGOEB-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63895500
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(4-bromo-3-fluorophenyl)-(3-methylphenyl)methanol
CID 81437315
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
(1S,2R)-1-amino-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]butan-2-ol
CID 171268854

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63894922) is (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is Cc1cccc(C(O)c2ccc(SC(F)(F)F)cc2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is LQNXKTBKUIGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/c1-10-3-2-4-12(9-10)14(19)11-5-7-13(8-6-11)20-15(16,17)18/h2-9,14,19H,1H3.
What are the key properties of (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 298.33 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63894922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).