1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C16H16ClFO2S — CID 66053443

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)CSc1ccccc1F
InChIInChI=1S/C16H16ClFO2S/c1-20-15-7-6-12(17)8-11(15)9-13(19)10-21-16-5-3-2-4-14(16)18/h2-8,13,19H,9-10H2,1H3
InChIKeyDSQFIBQPLKXZSR-UHFFFAOYSA-N
MW326.82 g/mol
LogP4.18
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66053443) has the molecular formula C16H16ClFO2S and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66053443
Molecular FormulaC16H16ClFO2S
Molecular Weight326.82 g/mol
Exact Mass326.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)CSc1ccccc1F
InChIInChI=1S/C16H16ClFO2S/c1-20-15-7-6-12(17)8-11(15)9-13(19)10-21-16-5-3-2-4-14(16)18/h2-8,13,19H,9-10H2,1H3
InChIKeyDSQFIBQPLKXZSR-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 66053443) is 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is COc1ccc(Cl)cc1CC(O)CSc1ccccc1F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is DSQFIBQPLKXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2S/c1-20-15-7-6-12(17)8-11(15)9-13(19)10-21-16-5-3-2-4-14(16)18/h2-8,13,19H,9-10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 326.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).