2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid

C11H12BrFO3 — CID 118819646

IUPAC2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)ccc1CCCBr
InChIInChI=1S/C11H12BrFO3/c12-5-1-2-7-3-4-8(13)6-9(7)10(14)11(15)16/h3-4,6,10,14H,1-2,5H2,(H,15,16)
InChIKeyYWQBZGLWVSNHDP-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid

2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 118819646) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid
PubChem CID118819646
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Name2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)ccc1CCCBr
InChIInChI=1S/C11H12BrFO3/c12-5-1-2-7-3-4-8(13)6-9(7)10(14)11(15)16/h3-4,6,10,14H,1-2,5H2,(H,15,16)
InChIKeyYWQBZGLWVSNHDP-UHFFFAOYSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
2-[2-(3-bromopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118808378
2-[2-(3-bromopropyl)-4-iodophenyl]-2-hydroxyacetic acid
CID 118831019
2-[3-(3-bromopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 134657241
2-[3-(3-bromopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135740762
2-[3-(3-bromopropyl)-2-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656729
2-[3-(3-bromopropyl)-2-sulfanylphenyl]-2-hydroxyacetic acid
CID 134657497
2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
CID 134656304
2-[2-(3-bromopropyl)-4-ethoxyphenyl]-2-hydroxyacetic acid
CID 118847880
2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
CID 118848081
2-[2-(3-bromopropyl)-6-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118802729
2-bromo-1-(3-bromopropyl)-4-fluorobenzene
CID 62604582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid (CID 118819646) is 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)ccc1CCCBr.
What is the InChIKey of 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is YWQBZGLWVSNHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c12-5-1-2-7-3-4-8(13)6-9(7)10(14)11(15)16/h3-4,6,10,14H,1-2,5H2,(H,15,16).
What are the key properties of 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid?
2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 291.12 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118819646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).