1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol

C16H17FO4S — CID 2725854

IUPAC1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol
SMILESO=S(=O)(Cc1ccccc1)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C16H17FO4S/c17-14-6-8-16(9-7-14)21-10-15(18)12-22(19,20)11-13-4-2-1-3-5-13/h1-9,15,18H,10-12H2
InChIKeyOFGCBTIWUDIFKH-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.18
Rot. Bonds7

About 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol

1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 2725854) has the molecular formula C16H17FO4S and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol
PubChem CID2725854
Molecular FormulaC16H17FO4S
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol
SMILESO=S(=O)(Cc1ccccc1)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C16H17FO4S/c17-14-6-8-16(9-7-14)21-10-15(18)12-22(19,20)11-13-4-2-1-3-5-13/h1-9,15,18H,10-12H2
InChIKeyOFGCBTIWUDIFKH-UHFFFAOYSA-N
XLogP2.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-Phenylmethoxyphenoxy)butane-1-sulfonyl fluoride
CID 71452048
2-[3-(Benzenesulfonyl)-2-hydroxypropoxy]benzonitrile
CID 3251179
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
CID 9948470
2-(4-phenoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9799171
1-(7-Methylsulfonylheptyl)-4-phenylmethoxybenzene
CID 118855559
1-(4-Tert-butylphenoxy)-3-(butylsulfinyl)-2-propanol
CID 2843263
4-fluoro-2-methoxy-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 24754396
ethyl (E)-2-[4-[2-[4-[(E)-2-ethoxysulfonylethenyl]phenoxy]ethoxy]phenyl]ethenesulfonate
CID 137634668
1-Fluoro-4-[[3-[(4-methoxyphenyl)methylsulfinyl]prop-1-enyldisulfanyl]methyl]benzene
CID 70680967
1-(4-Fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
CID 2725852

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol (CID 2725854) is 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol is O=S(=O)(Cc1ccccc1)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is OFGCBTIWUDIFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4S/c17-14-6-8-16(9-7-14)21-10-15(18)12-22(19,20)11-13-4-2-1-3-5-13/h1-9,15,18H,10-12H2.
What are the key properties of 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol?
1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 324.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 2725854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).