[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol

C10H13FO2S — CID 107698407

IUPAC[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
SMILESCSCCOc1ccc(F)cc1CO
InChIInChI=1S/C10H13FO2S/c1-14-5-4-13-10-3-2-9(11)6-8(10)7-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyBGSLFZHUNADFAC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds5

About [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol

[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol (PubChem CID 107698407) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
PubChem CID107698407
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
SMILESCSCCOc1ccc(F)cc1CO
InChIInChI=1S/C10H13FO2S/c1-14-5-4-13-10-3-2-9(11)6-8(10)7-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyBGSLFZHUNADFAC-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
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

(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanol
CID 113223111
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 107698387
1-[5-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 107700941

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol (CID 107698407) is [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol is CSCCOc1ccc(F)cc1CO.
What is the InChIKey of [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol?
The InChIKey is BGSLFZHUNADFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-14-5-4-13-10-3-2-9(11)6-8(10)7-12/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol?
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol is sourced from PubChem (CID 107698407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).