1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol

C15H14ClFOS — CID 65142299

IUPAC1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFOS/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13,18H,8,10H2
InChIKeyFQYZNPTVLYSNMH-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.17
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol

1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol (PubChem CID 65142299) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
PubChem CID65142299
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFOS/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13,18H,8,10H2
InChIKeyFQYZNPTVLYSNMH-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfanyl-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 65132928
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-(2-chloro-4-fluorophenyl)hex-4-yn-2-ol
CID 63035454
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol (CID 65142299) is 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol is OC(CSc1ccccc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is FQYZNPTVLYSNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFOS/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13,18H,8,10H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 296.79 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65142299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).