methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate

C10H11BrO4 — CID 154610153

IUPACmethyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(O)cc(Br)c1
InChIInChI=1S/C10H11BrO4/c1-6(10(13)14-2)15-9-4-7(11)3-8(12)5-9/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyFLPKLNLCASLXML-ZCFIWIBFSA-N
MW275.10 g/mol
LogP2.10
Rot. Bonds3

About methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate

methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate (PubChem CID 154610153) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
PubChem CID154610153
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Namemethyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(O)cc(Br)c1
InChIInChI=1S/C10H11BrO4/c1-6(10(13)14-2)15-9-4-7(11)3-8(12)5-9/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyFLPKLNLCASLXML-ZCFIWIBFSA-N
XLogP2.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
methyl (2S)-2-(3,5-ditert-butylphenoxy)propanoate
CID 103337876
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200
methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
CID 103338197
3-bromo-5-hydroxybenzoic acid;methyl 3-bromo-5-propan-2-yloxybenzoate
CID 158388681
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79842569
5-bromo-2-(1-methoxy-1-oxopropan-2-yl)oxy-3-methylbenzoic acid
CID 112620920
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
methyl (2S)-2-[3-(bromomethyl)phenoxy]propanoate
CID 86674593
methyl (2R)-2-[3-(1-bromoethyl)-4-chlorophenoxy]propanoate
CID 174470563

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate (CID 154610153) is methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate is COC(=O)[C@@H](C)Oc1cc(O)cc(Br)c1.
What is the InChIKey of methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate?
The InChIKey is FLPKLNLCASLXML-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-6(10(13)14-2)15-9-4-7(11)3-8(12)5-9/h3-6,12H,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate?
methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate has a molecular weight of 275.10 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate is sourced from PubChem (CID 154610153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).