[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol

C11H12BrFO — CID 170497332

IUPAC[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
SMILESOCc1cc(C=CCCBr)ccc1F
InChIInChI=1S/C11H12BrFO/c12-6-2-1-3-9-4-5-11(13)10(7-9)8-14/h1,3-5,7,14H,2,6,8H2
InChIKeyKQKXARCBRQLHPV-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.12
Rot. Bonds4

About [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol

[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol (PubChem CID 170497332) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
PubChem CID170497332
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
SMILESOCc1cc(C=CCCBr)ccc1F
InChIInChI=1S/C11H12BrFO/c12-6-2-1-3-9-4-5-11(13)10(7-9)8-14/h1,3-5,7,14H,2,6,8H2
InChIKeyKQKXARCBRQLHPV-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

S-[4-[4-fluoro-3-(hydroxymethyl)phenyl]but-3-enyl] ethanethioate
CID 170479991
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 170497926
2-[2-fluoro-5-(4-hydroxybut-1-enyl)phenyl]acetic acid
CID 170477059
4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol
CID 170497350
2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
CID 169453752
2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
CID 78325099
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol
CID 169477235
[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol
CID 169475368

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol?
The IUPAC name of [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol (CID 170497332) is [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol.
What is the SMILES notation for [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol?
The canonical SMILES for [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol is OCc1cc(C=CCCBr)ccc1F.
What is the InChIKey of [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol?
The InChIKey is KQKXARCBRQLHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-6-2-1-3-9-4-5-11(13)10(7-9)8-14/h1,3-5,7,14H,2,6,8H2.
What are the key properties of [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol?
[5-(4-bromobut-1-enyl)-2-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 [5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol is sourced from PubChem (CID 170497332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).