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

C10H11FOS — CID 169455042

IUPAC[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESOCc1ccc(C=CCS)c(F)c1
InChIInChI=1S/C10H11FOS/c11-10-6-8(7-12)3-4-9(10)2-1-5-13/h1-4,6,12-13H,5,7H2
InChIKeyQKTJPCZQTUXFPW-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds3

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

[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol (PubChem CID 169455042) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
PubChem CID169455042
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
SMILESOCc1ccc(C=CCS)c(F)c1
InChIInChI=1S/C10H11FOS/c11-10-6-8(7-12)3-4-9(10)2-1-5-13/h1-4,6,12-13H,5,7H2
InChIKeyQKTJPCZQTUXFPW-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

[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
[4-methyl-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455074
methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
CID 169478909
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551
[4-fluoro-2-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455018
3-[5-(aminomethyl)-2-fluorophenyl]prop-2-ene-1-thiol
CID 169455152
(3,4-difluorophenyl)methanol
CID 522833
3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
CID 169453035
benzyl N-[3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471497
3-(4-bromo-2,5-difluorophenyl)prop-2-ene-1-thiol
CID 169456240
[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
CID 170499033
[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455044

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol (CID 169455042) is [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol is OCc1ccc(C=CCS)c(F)c1.
What is the InChIKey of [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol?
The InChIKey is QKTJPCZQTUXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-10-6-8(7-12)3-4-9(10)2-1-5-13/h1-4,6,12-13H,5,7H2.
What are the key properties of [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol?
[3-fluoro-4-(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 [3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol is sourced from PubChem (CID 169455042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).