2-(3-bromo-4-tert-butylphenyl)acetic acid

C12H15BrO2 — CID 84809323

IUPAC2-(3-bromo-4-tert-butylphenyl)acetic acid
SMILESCC(C)(C)c1ccc(CC(=O)O)cc1Br
InChIInChI=1S/C12H15BrO2/c1-12(2,3)9-5-4-8(6-10(9)13)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyAVSMJWNRJXKORA-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.37
Rot. Bonds2

About 2-(3-bromo-4-tert-butylphenyl)acetic acid

2-(3-bromo-4-tert-butylphenyl)acetic acid (PubChem CID 84809323) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(3-bromo-4-tert-butylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-tert-butylphenyl)acetic acid
PubChem CID84809323
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(3-bromo-4-tert-butylphenyl)acetic acid
SMILESCC(C)(C)c1ccc(CC(=O)O)cc1Br
InChIInChI=1S/C12H15BrO2/c1-12(2,3)9-5-4-8(6-10(9)13)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyAVSMJWNRJXKORA-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
CID 59376441
2-(3-bromo-4-ethylsulfonylphenyl)acetic acid
CID 105424912
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
methyl 2-[3-bromo-4-(trifluoromethyl)phenyl]acetate
CID 126597178
2-[3-bromo-4-(3-bromopropyl)phenyl]acetic acid
CID 134625365
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid
CID 117463139
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2-[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 117480206
2-(3-bromo-4-piperidin-1-ylphenyl)acetic acid
CID 117480207
3-bromo-4-tert-butylbenzenesulfonic acid
CID 58734579
[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol
CID 84706048

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-tert-butylphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-4-tert-butylphenyl)acetic acid (CID 84809323) is 2-(3-bromo-4-tert-butylphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-tert-butylphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-tert-butylphenyl)acetic acid is CC(C)(C)c1ccc(CC(=O)O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-tert-butylphenyl)acetic acid?
The InChIKey is AVSMJWNRJXKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-12(2,3)9-5-4-8(6-10(9)13)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-bromo-4-tert-butylphenyl)acetic acid?
2-(3-bromo-4-tert-butylphenyl)acetic acid has a molecular weight of 271.15 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-tert-butylphenyl)acetic acid is sourced from PubChem (CID 84809323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).