2-(4-bromophenyl)-2-methoxybutanoic acid

C11H13BrO3 — CID 83845054

IUPAC2-(4-bromophenyl)-2-methoxybutanoic acid
SMILESCCC(OC)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3/c1-3-11(15-2,10(13)14)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyULGAUEKNUQXAHQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.79
Rot. Bonds4

About 2-(4-bromophenyl)-2-methoxybutanoic acid

2-(4-bromophenyl)-2-methoxybutanoic acid (PubChem CID 83845054) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methoxybutanoic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methoxybutanoic acid
PubChem CID83845054
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(4-bromophenyl)-2-methoxybutanoic acid
SMILESCCC(OC)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3/c1-3-11(15-2,10(13)14)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyULGAUEKNUQXAHQ-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
2-(4-bromophenyl)-2-ethyl-4-oxobutanoic acid
CID 175011674
methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
2-(4-bromophenyl)-2-hydroxy-4-methoxybutanoic acid
CID 15078605
2-phenoxy-2-phenylbutanoic acid
CID 20567350
methyl 3-amino-3-(4-bromophenyl)pentanoate
CID 79848287
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
2-phenoxy-2-phenylbutanoic acid;dihydrate
CID 20567349
3-amino-3-(4-bromophenyl)pentanoic acid
CID 64664733
2-amino-2-(4-bromophenyl)pentanoic acid
CID 83743848
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
1-(4-bromophenyl)-3-ethyl-3-methoxypentan-2-one
CID 116747440

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methoxybutanoic acid?
The IUPAC name of 2-(4-bromophenyl)-2-methoxybutanoic acid (CID 83845054) is 2-(4-bromophenyl)-2-methoxybutanoic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-methoxybutanoic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-methoxybutanoic acid is CCC(OC)(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-methoxybutanoic acid?
The InChIKey is ULGAUEKNUQXAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-11(15-2,10(13)14)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromophenyl)-2-methoxybutanoic acid?
2-(4-bromophenyl)-2-methoxybutanoic acid has a molecular weight of 273.13 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methoxybutanoic acid is sourced from PubChem (CID 83845054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).