(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol

C16H16F2O3S — CID 69235746

IUPAC(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc([C@@H](CCO)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O3S/c1-22(20,21)15-4-2-11(3-5-15)16(6-7-19)12-8-13(17)10-14(18)9-12/h2-5,8-10,16,19H,6-7H2,1H3/t16-/m1/s1
InChIKeyVPQLBZFCAJZKFZ-MRXNPFEDSA-N
MW326.36 g/mol
LogP2.88
Rot. Bonds5

About (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol

(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol (PubChem CID 69235746) has the molecular formula C16H16F2O3S and a molecular weight of 326.36 g/mol. Its IUPAC name is (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol
PubChem CID69235746
Molecular FormulaC16H16F2O3S
Molecular Weight326.36 g/mol
Exact Mass326.08
IUPAC Name(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc([C@@H](CCO)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O3S/c1-22(20,21)15-4-2-11(3-5-15)16(6-7-19)12-8-13(17)10-14(18)9-12/h2-5,8-10,16,19H,6-7H2,1H3/t16-/m1/s1
InChIKeyVPQLBZFCAJZKFZ-MRXNPFEDSA-N
XLogP2.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol (CID 69235746) is (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1ccc([C@@H](CCO)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol?
The InChIKey is VPQLBZFCAJZKFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16F2O3S/c1-22(20,21)15-4-2-11(3-5-15)16(6-7-19)12-8-13(17)10-14(18)9-12/h2-5,8-10,16,19H,6-7H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol?
(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol has a molecular weight of 326.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 69235746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).