(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid

C15H13BrO3 — CID 100534593

IUPAC(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccccc1
InChIInChI=1S/C15H13BrO3/c16-12-6-4-5-11(9-12)10-14(15(17)18)19-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1
InChIKeyLZVCKROLVDEQIH-CQSZACIVSA-N
MW321.17 g/mol
LogP3.52
Rot. Bonds5

About (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid

(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid (PubChem CID 100534593) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
PubChem CID100534593
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccccc1
InChIInChI=1S/C15H13BrO3/c16-12-6-4-5-11(9-12)10-14(15(17)18)19-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1
InChIKeyLZVCKROLVDEQIH-CQSZACIVSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245412
3-(3-bromophenyl)-2-phenylmethoxypropanoic acid
CID 133245426
3-(3-bromophenyl)-2-(2-tert-butylphenoxy)propanoic acid
CID 133245408
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid
CID 100548183
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid?
The IUPAC name of (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid (CID 100534593) is (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid?
The canonical SMILES for (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid is O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccccc1.
What is the InChIKey of (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid?
The InChIKey is LZVCKROLVDEQIH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13BrO3/c16-12-6-4-5-11(9-12)10-14(15(17)18)19-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid?
(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid has a molecular weight of 321.17 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 100534593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).