[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol

C11H12BrFO — CID 170497350

IUPAC[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(C=CCCBr)c1
InChIInChI=1S/C11H12BrFO/c12-4-2-1-3-9-5-10(8-14)7-11(13)6-9/h1,3,5-7,14H,2,4,8H2
InChIKeyGWSUPIMJVSCNJM-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.12
Rot. Bonds4

About [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol

[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol (PubChem CID 170497350) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol
PubChem CID170497350
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(C=CCCBr)c1
InChIInChI=1S/C11H12BrFO/c12-4-2-1-3-9-5-10(8-14)7-11(13)6-9/h1,3,5-7,14H,2,4,8H2
InChIKeyGWSUPIMJVSCNJM-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801
4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
tert-butyl N-[3-[3-fluoro-5-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467398
[4-(4-bromobut-1-enyl)-3,5-dimethoxyphenyl]methanol
CID 170498292
[4-(4-bromobut-1-enyl)-3-methylphenyl]methanol
CID 170497372
3-(4-bromobut-1-enyl)-5-fluorobenzene-1,2-diamine
CID 170497391
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
CID 170498464
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol?
The IUPAC name of [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol (CID 170497350) is [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol is OCc1cc(F)cc(C=CCCBr)c1.
What is the InChIKey of [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol?
The InChIKey is GWSUPIMJVSCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-4-2-1-3-9-5-10(8-14)7-11(13)6-9/h1,3,5-7,14H,2,4,8H2.
What are the key properties of [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol?
[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol has a molecular weight of 259.12 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol is sourced from PubChem (CID 170497350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).