(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol

C15H15FO3S — CID 79746730

IUPAC(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C15H15FO3S/c1-10-9-12(5-8-14(10)16)15(17)11-3-6-13(7-4-11)20(2,18)19/h3-9,15,17H,1-2H3
InChIKeyRHQYQHWOCYZOBY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.62
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol

(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol (PubChem CID 79746730) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
PubChem CID79746730
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C15H15FO3S/c1-10-9-12(5-8-14(10)16)15(17)11-3-6-13(7-4-11)20(2,18)19/h3-9,15,17H,1-2H3
InChIKeyRHQYQHWOCYZOBY-UHFFFAOYSA-N
XLogP2.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[chloro-(4-methylsulfonylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747561
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63426051
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61101064
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
4-[chloro-(4-methylsulfonylphenyl)methyl]-1,2-difluorobenzene
CID 61086005
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
CID 133189853
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 61100814

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol?
The IUPAC name of (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol (CID 79746730) is (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol is Cc1cc(C(O)c2ccc(S(C)(=O)=O)cc2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol?
The InChIKey is RHQYQHWOCYZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3S/c1-10-9-12(5-8-14(10)16)15(17)11-3-6-13(7-4-11)20(2,18)19/h3-9,15,17H,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol?
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol has a molecular weight of 294.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 79746730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).