[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol

C10H11FOS — CID 169455044

IUPAC[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESOCc1cccc(C=CCS)c1F
InChIInChI=1S/C10H11FOS/c11-10-8(5-2-6-13)3-1-4-9(10)7-12/h1-5,12-13H,6-7H2
InChIKeyGENWJWIRYSRUSB-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds3

About [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol

[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol (PubChem CID 169455044) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
PubChem CID169455044
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESOCc1cccc(C=CCS)c1F
InChIInChI=1S/C10H11FOS/c11-10-8(5-2-6-13)3-1-4-9(10)7-12/h1-5,12-13H,6-7H2
InChIKeyGENWJWIRYSRUSB-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
The IUPAC name of [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol (CID 169455044) is [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
The canonical SMILES for [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol is OCc1cccc(C=CCS)c1F.
What is the InChIKey of [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
The InChIKey is GENWJWIRYSRUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-10-8(5-2-6-13)3-1-4-9(10)7-12/h1-5,12-13H,6-7H2.
What are the key properties of [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol?
[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol has a molecular weight of 198.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol is sourced from PubChem (CID 169455044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).