2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid

C11H12BrFO3 — CID 117470016

IUPAC2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
SMILESCC(C)c1cc(C(O)C(=O)O)cc(Br)c1F
InChIInChI=1S/C11H12BrFO3/c1-5(2)7-3-6(10(14)11(15)16)4-8(12)9(7)13/h3-5,10,14H,1-2H3,(H,15,16)
InChIKeyDGDHGQQMPUINTG-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid

2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid (PubChem CID 117470016) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
PubChem CID117470016
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Name2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
SMILESCC(C)c1cc(C(O)C(=O)O)cc(Br)c1F
InChIInChI=1S/C11H12BrFO3/c1-5(2)7-3-6(10(14)11(15)16)4-8(12)9(7)13/h3-5,10,14H,1-2H3,(H,15,16)
InChIKeyDGDHGQQMPUINTG-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
3-(3-bromo-4-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117466931
1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117468684
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
CID 171000893
2-(3-bromo-5-chloro-4-methylphenyl)-2-hydroxyacetic acid
CID 171002378
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
1-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117465073
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid (CID 117470016) is 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid is CC(C)c1cc(C(O)C(=O)O)cc(Br)c1F.
What is the InChIKey of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid?
The InChIKey is DGDHGQQMPUINTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c1-5(2)7-3-6(10(14)11(15)16)4-8(12)9(7)13/h3-5,10,14H,1-2H3,(H,15,16).
What are the key properties of 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid?
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid has a molecular weight of 291.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117470016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).