methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate

C11H12Br2O4 — CID 69245767

IUPACmethyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cc1cc(Br)c(OC)c(Br)c1
InChIInChI=1S/C11H12Br2O4/c1-16-10-7(12)3-6(4-8(10)13)5-9(14)11(15)17-2/h3-4,9,14H,5H2,1-2H3
InChIKeyDLOBVHAEPNAEHS-UHFFFAOYSA-N
MW368.02 g/mol
LogP2.30
Rot. Bonds4

About methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate

methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate (PubChem CID 69245767) has the molecular formula C11H12Br2O4 and a molecular weight of 368.02 g/mol. Its IUPAC name is methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
PubChem CID69245767
Molecular FormulaC11H12Br2O4
Molecular Weight368.02 g/mol
Exact Mass365.91
IUPAC Namemethyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cc1cc(Br)c(OC)c(Br)c1
InChIInChI=1S/C11H12Br2O4/c1-16-10-7(12)3-6(4-8(10)13)5-9(14)11(15)17-2/h3-4,9,14H,5H2,1-2H3
InChIKeyDLOBVHAEPNAEHS-UHFFFAOYSA-N
XLogP2.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.02
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
CID 79701348
methyl (2S)-2-(dibenzylamino)-3-(3,5-dibromo-4-methoxyphenyl)propanoate
CID 154641512
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride
CID 18184515
methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate
CID 69130979
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
2-amino-3-(3-bromo-4-methoxy-5-methylphenyl)propanoic acid
CID 117464888
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride
CID 11545546
N-but-3-enyl-2-[(3,5-dibromo-4-methoxyphenyl)methyl]but-3-enamide
CID 25215572
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate (CID 69245767) is methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate is COC(=O)C(O)Cc1cc(Br)c(OC)c(Br)c1.
What is the InChIKey of methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate?
The InChIKey is DLOBVHAEPNAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O4/c1-16-10-7(12)3-6(4-8(10)13)5-9(14)11(15)17-2/h3-4,9,14H,5H2,1-2H3.
What are the key properties of methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate?
methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate has a molecular weight of 368.02 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 69245767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).