1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol

C17H18ClFOS — CID 66153524

IUPAC1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)CSc1ccccc1Cl
InChIInChI=1S/C17H18ClFOS/c1-17(2,12-7-9-13(19)10-8-12)16(20)11-21-15-6-4-3-5-14(15)18/h3-10,16,20H,11H2,1-2H3
InChIKeyMBCMKHHCJXYRCJ-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.91
Rot. Bonds5

About 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol

1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 66153524) has the molecular formula C17H18ClFOS and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol
PubChem CID66153524
Molecular FormulaC17H18ClFOS
Molecular Weight324.85 g/mol
Exact Mass324.08
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)CSc1ccccc1Cl
InChIInChI=1S/C17H18ClFOS/c1-17(2,12-7-9-13(19)10-8-12)16(20)11-21-15-6-4-3-5-14(15)18/h3-10,16,20H,11H2,1-2H3
InChIKeyMBCMKHHCJXYRCJ-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol (CID 66153524) is 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol is CC(C)(c1ccc(F)cc1)C(O)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is MBCMKHHCJXYRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFOS/c1-17(2,12-7-9-13(19)10-8-12)16(20)11-21-15-6-4-3-5-14(15)18/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 324.85 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 66153524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).