methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate

C11H13BrO3 — CID 103338168

IUPACmethyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
SMILESCOC(=O)[C@@H](C)OCc1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3/c1-8(11(13)14-2)15-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyLLHQFFUEBBQACG-MRVPVSSYSA-N
MW273.13 g/mol
LogP2.53
Rot. Bonds4

About methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate

methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate (PubChem CID 103338168) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
PubChem CID103338168
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
SMILESCOC(=O)[C@@H](C)OCc1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3/c1-8(11(13)14-2)15-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyLLHQFFUEBBQACG-MRVPVSSYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate 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

methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate
CID 11381066
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
CID 82826755
methyl 3-(4-bromophenyl)-2-chloropropanoate
CID 79021438
methyl 3-(4-bromophenyl)-2-(propan-2-ylamino)propanoate
CID 140629616
2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
CID 103224152
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
2-[(4-bromophenyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide
CID 22235980
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate?
The IUPAC name of methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate (CID 103338168) is methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate.
What is the SMILES notation for methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate?
The canonical SMILES for methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate is COC(=O)[C@@H](C)OCc1ccc(Br)cc1.
What is the InChIKey of methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate?
The InChIKey is LLHQFFUEBBQACG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-8(11(13)14-2)15-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate?
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate has a molecular weight of 273.13 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate is sourced from PubChem (CID 103338168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).