methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate

C11H13BrO4 — CID 63365900

IUPACmethyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(Br)cc1[C@@H](C)O
InChIInChI=1S/C11H13BrO4/c1-7(13)9-5-8(12)3-4-10(9)16-6-11(14)15-2/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyQZXPXKJMEWGSNX-SSDOTTSWSA-N
MW289.13 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate

methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate (PubChem CID 63365900) has the molecular formula C11H13BrO4 and a molecular weight of 289.13 g/mol. Its IUPAC name is methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
PubChem CID63365900
Molecular FormulaC11H13BrO4
Molecular Weight289.13 g/mol
Exact Mass288.00
IUPAC Namemethyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(Br)cc1[C@@H](C)O
InChIInChI=1S/C11H13BrO4/c1-7(13)9-5-8(12)3-4-10(9)16-6-11(14)15-2/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyQZXPXKJMEWGSNX-SSDOTTSWSA-N
XLogP2.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate 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

2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylacetamide
CID 55068634
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 78932602
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
methyl 2-(4-bromo-2-ethynylphenoxy)acetate
CID 142605224
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylethanone
CID 63365992

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate (CID 63365900) is methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate is COC(=O)COc1ccc(Br)cc1[C@@H](C)O.
What is the InChIKey of methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate?
The InChIKey is QZXPXKJMEWGSNX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-7(13)9-5-8(12)3-4-10(9)16-6-11(14)15-2/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate?
methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate has a molecular weight of 289.13 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate is sourced from PubChem (CID 63365900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).