2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid

C11H10Br2O4 — CID 54556282

IUPAC2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid
SMILESCOC(=O)C(Br)c1ccccc1C(Br)C(=O)O
InChIInChI=1S/C11H10Br2O4/c1-17-11(16)9(13)7-5-3-2-4-6(7)8(12)10(14)15/h2-5,8-9H,1H3,(H,14,15)
InChIKeyZNJQETVRLWAFMZ-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.82
Rot. Bonds4

About 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid

2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid (PubChem CID 54556282) has the molecular formula C11H10Br2O4 and a molecular weight of 366.01 g/mol. Its IUPAC name is 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid
PubChem CID54556282
Molecular FormulaC11H10Br2O4
Molecular Weight366.01 g/mol
Exact Mass363.89
IUPAC Name2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid
SMILESCOC(=O)C(Br)c1ccccc1C(Br)C(=O)O
InChIInChI=1S/C11H10Br2O4/c1-17-11(16)9(13)7-5-3-2-4-6(7)8(12)10(14)15/h2-5,8-9H,1H3,(H,14,15)
InChIKeyZNJQETVRLWAFMZ-UHFFFAOYSA-N
XLogP2.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
methyl 2-bromo-3-oxo-3-phenylpropanoate
CID 71438799
methyl 2-bromo-2-(2,4-dimethylphenyl)acetate
CID 23510843
methyl (2S)-2-bromo-2-[4-(dibromomethyl)phenyl]acetate
CID 98077076
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
methyl 2-bromo-2-(2-fluoro-4-methylphenyl)acetate
CID 145375682
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
methyl 2-deuterio-2-phenylpropanoate
CID 11984149

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid?
The IUPAC name of 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid (CID 54556282) is 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid?
The canonical SMILES for 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid is COC(=O)C(Br)c1ccccc1C(Br)C(=O)O.
What is the InChIKey of 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid?
The InChIKey is ZNJQETVRLWAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2O4/c1-17-11(16)9(13)7-5-3-2-4-6(7)8(12)10(14)15/h2-5,8-9H,1H3,(H,14,15).
What are the key properties of 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid?
2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid has a molecular weight of 366.01 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid is sourced from PubChem (CID 54556282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).