2-[(3-bromophenyl)methoxy]-2-phenylacetic acid

C15H13BrO3 — CID 82827786

IUPAC2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
SMILESO=C(O)C(OCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrO3/c16-13-8-4-5-11(9-13)10-19-14(15(17)18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18)
InChIKeyGKIQZLJIJXAFSD-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.79
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid

2-[(3-bromophenyl)methoxy]-2-phenylacetic acid (PubChem CID 82827786) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
PubChem CID82827786
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
SMILESO=C(O)C(OCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrO3/c16-13-8-4-5-11(9-13)10-19-14(15(17)18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18)
InChIKeyGKIQZLJIJXAFSD-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methoxy]propanoic acid
CID 82828681
(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
CID 104875834
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
CID 82825431
3-(3-bromophenyl)-2-phenylmethoxypropanoic acid
CID 133245426
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
methyl 2-(3-bromophenyl)-2-[(4-phenylmethoxyphenyl)methoxy]acetate
CID 66721888
4-[(3-bromophenyl)methoxy]pentan-2-one
CID 82826907
4-[2-(3-bromophenyl)-1-phenylmethoxyethyl]-2-hydroxybenzoic acid
CID 70345902
(3-bromophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983564
4-(3-bromophenyl)-2-fluorobutanoic acid
CID 84729589
(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
CID 100534593

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid (CID 82827786) is 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid is O=C(O)C(OCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid?
The InChIKey is GKIQZLJIJXAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c16-13-8-4-5-11(9-13)10-19-14(15(17)18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18).
What are the key properties of 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid?
2-[(3-bromophenyl)methoxy]-2-phenylacetic acid has a molecular weight of 321.17 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-2-phenylacetic acid is sourced from PubChem (CID 82827786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).