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

C10H11BrO3 — CID 150268670

IUPACmethyl 3-(3-bromo-2-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1cccc(Br)c1O
InChIInChI=1S/C10H11BrO3/c1-14-9(12)6-5-7-3-2-4-8(11)10(7)13/h2-4,13H,5-6H2,1H3
InChIKeyGDCBLVQGEQHXTB-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.26
Rot. Bonds3

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

methyl 3-(3-bromo-2-hydroxyphenyl)propanoate (PubChem CID 150268670) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 3-(3-bromo-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-bromo-2-hydroxyphenyl)propanoate
PubChem CID150268670
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namemethyl 3-(3-bromo-2-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1cccc(Br)c1O
InChIInChI=1S/C10H11BrO3/c1-14-9(12)6-5-7-3-2-4-8(11)10(7)13/h2-4,13H,5-6H2,1H3
InChIKeyGDCBLVQGEQHXTB-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 6-(2-bromophenyl)-4-oxohexanoate
CID 63899687
methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634568
methyl 3-(2-bromo-3-methylsulfanylphenyl)propanoate
CID 134634508
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
methyl 4-(2-bromophenyl)-2-oxobutanoate
CID 18370164
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663
methyl 4-(2-hydroxy-3-iodophenyl)butanoate
CID 155290713
methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-bromo-2-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(3-bromo-2-hydroxyphenyl)propanoate (CID 150268670) is methyl 3-(3-bromo-2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-bromo-2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3-bromo-2-hydroxyphenyl)propanoate is COC(=O)CCc1cccc(Br)c1O.
What is the InChIKey of methyl 3-(3-bromo-2-hydroxyphenyl)propanoate?
The InChIKey is GDCBLVQGEQHXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-14-9(12)6-5-7-3-2-4-8(11)10(7)13/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 3-(3-bromo-2-hydroxyphenyl)propanoate?
methyl 3-(3-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-(3-bromo-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 150268670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).