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

C15H15FOS — CID 63813829

IUPAC[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
SMILESCc1ccc(Sc2ccc(CO)cc2F)c(C)c1
InChIInChI=1S/C15H15FOS/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8,17H,9H2,1-2H3
InChIKeyPPGKDLGIDSHCDJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.09
Rot. Bonds3

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

[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol (PubChem CID 63813829) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
PubChem CID63813829
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
SMILESCc1ccc(Sc2ccc(CO)cc2F)c(C)c1
InChIInChI=1S/C15H15FOS/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8,17H,9H2,1-2H3
InChIKeyPPGKDLGIDSHCDJ-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
CID 63814866
[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol
CID 63812756
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
CID 63813527
[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
CID 114055364
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanol
CID 63835086
1-[4-(2,4-dimethylphenyl)sulfanyl-3,5-difluorophenyl]-N-methylmethanamine
CID 63804561
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604417
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol (CID 63813829) is [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol is Cc1ccc(Sc2ccc(CO)cc2F)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol?
The InChIKey is PPGKDLGIDSHCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8,17H,9H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol?
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol has a molecular weight of 262.35 g/mol, XLogP of 4.09, 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-fluorophenyl]methanol is sourced from PubChem (CID 63813829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).