(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol

C16H17FOS — CID 106884084

IUPAC(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1C(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H17FOS/c1-10-8-11(2)15(13(17)9-10)16(18)12-6-4-5-7-14(12)19-3/h4-9,16,18H,1-3H3
InChIKeyYPCLKXIQMVCPEU-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.25
Rot. Bonds3

About (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol

(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol (PubChem CID 106884084) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
PubChem CID106884084
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1C(O)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H17FOS/c1-10-8-11(2)15(13(17)9-10)16(18)12-6-4-5-7-14(12)19-3/h4-9,16,18H,1-3H3
InChIKeyYPCLKXIQMVCPEU-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884176
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 106881196
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106880297
(5-chloro-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881129
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(3-chloro-5-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106880575

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol (CID 106884084) is (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol is CSc1ccccc1C(O)c1c(C)cc(C)cc1F.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
The InChIKey is YPCLKXIQMVCPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c1-10-8-11(2)15(13(17)9-10)16(18)12-6-4-5-7-14(12)19-3/h4-9,16,18H,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol has a molecular weight of 276.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol is sourced from PubChem (CID 106884084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).