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

C10H11FOS — CID 169455018

IUPAC[4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESOCc1ccc(F)cc1C=CCS
InChIInChI=1S/C10H11FOS/c11-10-4-3-9(7-12)8(6-10)2-1-5-13/h1-4,6,12-13H,5,7H2
InChIKeyXJBWWAHRVXJUOI-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds3

About [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol

[4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol (PubChem CID 169455018) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol
PubChem CID169455018
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name[4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESOCc1ccc(F)cc1C=CCS
InChIInChI=1S/C10H11FOS/c11-10-4-3-9(7-12)8(6-10)2-1-5-13/h1-4,6,12-13H,5,7H2
InChIKeyXJBWWAHRVXJUOI-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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Related Compounds

[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
CID 86725608
(2-ethenyl-4-fluorophenyl)methanol
CID 118307012
5-fluoro-2-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169455019
[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455044
3-(2-bromo-4-fluorophenyl)prop-2-ene-1-thiol
CID 169456209
(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol
CID 121012780
[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455042
2-but-1-enyl-1-ethyl-4-fluorobenzene
CID 162284345
3-(2-amino-3,5-difluorophenyl)prop-2-ene-1-thiol
CID 169455202
4-[2-(cyanomethyl)-5-fluorophenyl]but-3-enenitrile
CID 170800071
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
4-[2-(cyanomethyl)-5-fluorophenyl]but-3-enoic acid
CID 170483931

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol?
The IUPAC name of [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol (CID 169455018) is [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol.
What is the SMILES notation for [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol?
The canonical SMILES for [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol is OCc1ccc(F)cc1C=CCS.
What is the InChIKey of [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol?
The InChIKey is XJBWWAHRVXJUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-10-4-3-9(7-12)8(6-10)2-1-5-13/h1-4,6,12-13H,5,7H2.
What are the key properties of [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol?
[4-fluoro-2-(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 [4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol is sourced from PubChem (CID 169455018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).