1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C17H19FOS — CID 66051511

IUPAC1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2F)cc1
InChIInChI=1S/C17H19FOS/c1-2-13-7-9-14(10-8-13)11-15(19)12-20-17-6-4-3-5-16(17)18/h3-10,15,19H,2,11-12H2,1H3
InChIKeyFDHBMWOSQWPPHI-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.08
Rot. Bonds6

About 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66051511) has the molecular formula C17H19FOS and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66051511
Molecular FormulaC17H19FOS
Molecular Weight290.40 g/mol
Exact Mass290.11
IUPAC Name1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2F)cc1
InChIInChI=1S/C17H19FOS/c1-2-13-7-9-14(10-8-13)11-15(19)12-20-17-6-4-3-5-16(17)18/h3-10,15,19H,2,11-12H2,1H3
InChIKeyFDHBMWOSQWPPHI-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 79745838
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65141825
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
1-(2-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 66051511) is 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is CCc1ccc(CC(O)CSc2ccccc2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is FDHBMWOSQWPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FOS/c1-2-13-7-9-14(10-8-13)11-15(19)12-20-17-6-4-3-5-16(17)18/h3-10,15,19H,2,11-12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 290.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66051511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).