1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol

C17H19FO4S — CID 2725852

IUPAC1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCc1ccc(CS(=O)(=O)CC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FO4S/c1-13-2-4-14(5-3-13)11-23(20,21)12-16(19)10-22-17-8-6-15(18)7-9-17/h2-9,16,19H,10-12H2,1H3
InChIKeyDKTHGFAGZMBCBE-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.49
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol

1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol (PubChem CID 2725852) has the molecular formula C17H19FO4S and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
PubChem CID2725852
Molecular FormulaC17H19FO4S
Molecular Weight338.40 g/mol
Exact Mass338.10
IUPAC Name1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCc1ccc(CS(=O)(=O)CC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FO4S/c1-13-2-4-14(5-3-13)11-23(20,21)12-16(19)10-22-17-8-6-15(18)7-9-17/h2-9,16,19H,10-12H2,1H3
InChIKeyDKTHGFAGZMBCBE-UHFFFAOYSA-N
XLogP2.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol (CID 2725852) is 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol is Cc1ccc(CS(=O)(=O)CC(O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is DKTHGFAGZMBCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO4S/c1-13-2-4-14(5-3-13)11-23(20,21)12-16(19)10-22-17-8-6-15(18)7-9-17/h2-9,16,19H,10-12H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol?
1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol has a molecular weight of 338.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 2725852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).