2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid

C12H15BrO3 — CID 117463139

IUPAC2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid
SMILESCC(C)(C)c1cc(Br)cc(CC(=O)O)c1O
InChIInChI=1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-7(11(9)16)5-10(14)15/h4,6,16H,5H2,1-3H3,(H,14,15)
InChIKeyVGTPWKOIDLFBCM-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.08
Rot. Bonds2

About 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid

2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid (PubChem CID 117463139) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid
PubChem CID117463139
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid
SMILESCC(C)(C)c1cc(Br)cc(CC(=O)O)c1O
InChIInChI=1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-7(11(9)16)5-10(14)15/h4,6,16H,5H2,1-3H3,(H,14,15)
InChIKeyVGTPWKOIDLFBCM-UHFFFAOYSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-tert-butyl-2-methoxyphenyl)acetic acid
CID 117485194
2-[[3-tert-butyl-5-(carboxymethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]acetic acid
CID 22065456
2-(5-tert-butyl-2,3-dihydroxyphenyl)acetic acid
CID 117321860
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765
3-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998225
3-(3-tert-butyl-5-chloro-2-hydroxyphenyl)propanoic acid
CID 117395317
2-(3-bromo-4-tert-butylphenyl)acetic acid
CID 84809323
calcium;3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoic acid;carbonate
CID 174722916
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
CID 83899432
4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 89029788
5-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998223
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid (CID 117463139) is 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid is CC(C)(C)c1cc(Br)cc(CC(=O)O)c1O.
What is the InChIKey of 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid?
The InChIKey is VGTPWKOIDLFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-7(11(9)16)5-10(14)15/h4,6,16H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid?
2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid has a molecular weight of 287.15 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 117463139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).