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

C16H15BrO3 — CID 82825431

IUPAC3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
SMILESO=C(O)C(COCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrO3/c17-14-8-4-5-12(9-14)10-20-11-15(16(18)19)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,18,19)
InChIKeyYGRCOFKWSIOZGU-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.83
Rot. Bonds6

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

3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid (PubChem CID 82825431) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
PubChem CID82825431
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
SMILESO=C(O)C(COCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrO3/c17-14-8-4-5-12(9-14)10-20-11-15(16(18)19)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,18,19)
InChIKeyYGRCOFKWSIOZGU-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
CID 82827786
3-[(3-bromophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63072802
1-(3-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828468
methyl 2-bromo-3-[(3-bromophenyl)methoxy]propanoate
CID 82828519
1-bromo-3-(1-bromo-3-phenylmethoxypropan-2-yl)benzene
CID 102940998
2-[(3-bromophenyl)methoxy]propanoic acid
CID 82828681
(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
CID 104875834
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
CID 100534593
3-(3-bromophenyl)-2-phenylmethoxypropanoic acid
CID 133245426
2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
CID 63073472

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid (CID 82825431) is 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid is O=C(O)C(COCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid?
The InChIKey is YGRCOFKWSIOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c17-14-8-4-5-12(9-14)10-20-11-15(16(18)19)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,18,19).
What are the key properties of 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid?
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid has a molecular weight of 335.20 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid is sourced from PubChem (CID 82825431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).