propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate

C12H15BrO3 — CID 11694906

IUPACpropyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate
SMILESCCCOC(=O)C[C@@H](O)c1ccccc1Br
InChIInChI=1S/C12H15BrO3/c1-2-7-16-12(15)8-11(14)9-5-3-4-6-10(9)13/h3-6,11,14H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyIGZIAGJYPQUMDW-LLVKDONJSA-N
MW287.15 g/mol
LogP2.83
Rot. Bonds5

About propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate

propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate (PubChem CID 11694906) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namepropyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate
PubChem CID11694906
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Namepropyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate
SMILESCCCOC(=O)C[C@@H](O)c1ccccc1Br
InChIInChI=1S/C12H15BrO3/c1-2-7-16-12(15)8-11(14)9-5-3-4-6-10(9)13/h3-6,11,14H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyIGZIAGJYPQUMDW-LLVKDONJSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
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CID 171898431
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
bromobenzene;propyl 3-methylbutanoate
CID 174540636
1-(2-bromophenyl)-1-propoxypropan-2-one
CID 83225965
propyl 3-hydroxy-3-(4-methylphenyl)propanoate
CID 73003884
3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164892784
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
(4R)-4-(2-bromophenyl)-1-diethoxyphosphoryl-4-hydroxybutan-2-one
CID 101232564
propyl 3-amino-3-naphthalen-1-ylpropanoate
CID 23109941
ethane;propyl 2-bromobenzoate
CID 90697369

Frequently Asked Questions

What is the IUPAC name of propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate?
The IUPAC name of propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate (CID 11694906) is propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate.
What is the SMILES notation for propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate?
The canonical SMILES for propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate is CCCOC(=O)C[C@@H](O)c1ccccc1Br.
What is the InChIKey of propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate?
The InChIKey is IGZIAGJYPQUMDW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-2-7-16-12(15)8-11(14)9-5-3-4-6-10(9)13/h3-6,11,14H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate?
propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate has a molecular weight of 287.15 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 11694906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).