methyl 3-(4-bromo-2-hydroxyphenyl)propanoate

C10H11BrO3 — CID 154733783

IUPACmethyl 3-(4-bromo-2-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(Br)cc1O
InChIInChI=1S/C10H11BrO3/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6,12H,3,5H2,1H3
InChIKeyDQMADVOYNBVNEB-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.26
Rot. Bonds3

About methyl 3-(4-bromo-2-hydroxyphenyl)propanoate

methyl 3-(4-bromo-2-hydroxyphenyl)propanoate (PubChem CID 154733783) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 3-(4-bromo-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromo-2-hydroxyphenyl)propanoate
PubChem CID154733783
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namemethyl 3-(4-bromo-2-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(Br)cc1O
InChIInChI=1S/C10H11BrO3/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6,12H,3,5H2,1H3
InChIKeyDQMADVOYNBVNEB-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-bromo-2-(bromomethyl)phenyl]propanoate
CID 131473827
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 4-[(5-bromo-2-hydroxyphenyl)methylamino]butanoate
CID 107737813
methyl 2-(4-bromo-2-iodophenyl)acetate
CID 86241402
methyl 4-(5-bromo-2-nitrophenyl)butanoate
CID 175900849
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
methyl 3-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111604278

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromo-2-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-bromo-2-hydroxyphenyl)propanoate (CID 154733783) is methyl 3-(4-bromo-2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-bromo-2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-bromo-2-hydroxyphenyl)propanoate is COC(=O)CCc1ccc(Br)cc1O.
What is the InChIKey of methyl 3-(4-bromo-2-hydroxyphenyl)propanoate?
The InChIKey is DQMADVOYNBVNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6,12H,3,5H2,1H3.
What are the key properties of methyl 3-(4-bromo-2-hydroxyphenyl)propanoate?
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate has a molecular weight of 259.10 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromo-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 154733783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).