(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol

C20H17FO3S — CID 10155201

IUPAC(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2ccccc2C(O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H17FO3S/c1-25(23,24)17-11-9-14(10-12-17)18-7-2-3-8-19(18)20(22)15-5-4-6-16(21)13-15/h2-13,20,22H,1H3
InChIKeyILPDIIJVAUIVEP-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.98
Rot. Bonds4

About (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol

(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol (PubChem CID 10155201) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol
PubChem CID10155201
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2ccccc2C(O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H17FO3S/c1-25(23,24)17-11-9-14(10-12-17)18-7-2-3-8-19(18)20(22)15-5-4-6-16(21)13-15/h2-13,20,22H,1H3
InChIKeyILPDIIJVAUIVEP-UHFFFAOYSA-N
XLogP3.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
CID 105399299
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001
1,2,3-trifluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451159
(3-methoxyphenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol
CID 10179894
(2-fluoro-4-methylphenyl)-(3-fluorophenyl)methanol
CID 114978479
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
(2-cyclopropylphenyl)-(3-fluorophenyl)methanol
CID 79982940
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61082000
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol
CID 142774744
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol?
The IUPAC name of (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol (CID 10155201) is (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol.
What is the SMILES notation for (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol?
The canonical SMILES for (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol is CS(=O)(=O)c1ccc(-c2ccccc2C(O)c2cccc(F)c2)cc1.
What is the InChIKey of (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol?
The InChIKey is ILPDIIJVAUIVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c1-25(23,24)17-11-9-14(10-12-17)18-7-2-3-8-19(18)20(22)15-5-4-6-16(21)13-15/h2-13,20,22H,1H3.
What are the key properties of (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol?
(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol has a molecular weight of 356.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol is sourced from PubChem (CID 10155201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).