1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C16H16F2OS — CID 114347483

IUPAC1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCc1cc(F)ccc1CC(O)CSc1ccccc1F
InChIInChI=1S/C16H16F2OS/c1-11-8-13(17)7-6-12(11)9-14(19)10-20-16-5-3-2-4-15(16)18/h2-8,14,19H,9-10H2,1H3
InChIKeyPNNPJFPJINSVHA-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.97
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 114347483) has the molecular formula C16H16F2OS and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID114347483
Molecular FormulaC16H16F2OS
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCc1cc(F)ccc1CC(O)CSc1ccccc1F
InChIInChI=1S/C16H16F2OS/c1-11-8-13(17)7-6-12(11)9-14(19)10-20-16-5-3-2-4-15(16)18/h2-8,14,19H,9-10H2,1H3
InChIKeyPNNPJFPJINSVHA-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
CID 113411833
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347515

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 114347483) is 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is Cc1cc(F)ccc1CC(O)CSc1ccccc1F.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is PNNPJFPJINSVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2OS/c1-11-8-13(17)7-6-12(11)9-14(19)10-20-16-5-3-2-4-15(16)18/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 294.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 114347483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).