1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol

C12H17FO2S — CID 103395386

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO2S/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeyREMULJLVRQUDRQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol

1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol (PubChem CID 103395386) has the molecular formula C12H17FO2S and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
PubChem CID103395386
Molecular FormulaC12H17FO2S
Molecular Weight244.33 g/mol
Exact Mass244.09
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FO2S/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeyREMULJLVRQUDRQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 103395414
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
[1-(4-methoxy-2-methylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225877
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
CID 103395254
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol (CID 103395386) is 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol is CCCSCC(O)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol?
The InChIKey is REMULJLVRQUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2S/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol?
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol has a molecular weight of 244.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol is sourced from PubChem (CID 103395386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).