2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid

C11H10Br2O3 — CID 138686194

IUPAC2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Br)cc1/C=C/Br)C(=O)O
InChIInChI=1S/C11H10Br2O3/c1-7(11(14)15)16-10-3-2-9(13)6-8(10)4-5-12/h2-7H,1H3,(H,14,15)/b5-4+
InChIKeyOBSOUUUTKRRMPM-SNAWJCMRSA-N
MW350.01 g/mol
LogP3.67
Rot. Bonds4

About 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid

2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid (PubChem CID 138686194) has the molecular formula C11H10Br2O3 and a molecular weight of 350.01 g/mol. Its IUPAC name is 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid
PubChem CID138686194
Molecular FormulaC11H10Br2O3
Molecular Weight350.01 g/mol
Exact Mass347.90
IUPAC Name2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Br)cc1/C=C/Br)C(=O)O
InChIInChI=1S/C11H10Br2O3/c1-7(11(14)15)16-10-3-2-9(13)6-8(10)4-5-12/h2-7H,1H3,(H,14,15)/b5-4+
InChIKeyOBSOUUUTKRRMPM-SNAWJCMRSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
(E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-bromophenyl]prop-2-enoic acid
CID 43147751
2-(5-bromo-2-formylphenoxy)propanoic acid
CID 175669416
(2S)-2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126361859
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
CID 138687037
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
(2S)-2-(5-bromo-2-cyanophenoxy)propanoic acid
CID 131211264
3-[5-bromo-2-(1-methoxypropan-2-yloxy)phenyl]prop-2-enoic acid
CID 77020753
(2R)-2-[4-bromo-2-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126280377
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
(2S)-2-[4-bromo-2-[(6-bromo-2-tert-butyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126301463

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid (CID 138686194) is 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid is CC(Oc1ccc(Br)cc1/C=C/Br)C(=O)O.
What is the InChIKey of 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid?
The InChIKey is OBSOUUUTKRRMPM-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H10Br2O3/c1-7(11(14)15)16-10-3-2-9(13)6-8(10)4-5-12/h2-7H,1H3,(H,14,15)/b5-4+.
What are the key properties of 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid?
2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid has a molecular weight of 350.01 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid is sourced from PubChem (CID 138686194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).