methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate

C12H15BrO4 — CID 117488003

IUPACmethyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCc1cc(Br)c(OC)c(C(O)C(=O)OC)c1
InChIInChI=1S/C12H15BrO4/c1-4-7-5-8(10(14)12(15)17-3)11(16-2)9(13)6-7/h5-6,10,14H,4H2,1-3H3
InChIKeyBVYWICOELPZWRQ-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate

methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117488003) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
PubChem CID117488003
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Namemethyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCc1cc(Br)c(OC)c(C(O)C(=O)OC)c1
InChIInChI=1S/C12H15BrO4/c1-4-7-5-8(10(14)12(15)17-3)11(16-2)9(13)6-7/h5-6,10,14H,4H2,1-3H3
InChIKeyBVYWICOELPZWRQ-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-(3-bromo-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466749
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
methyl 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117495753
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
CID 69245767
3-(3-bromo-5-ethyl-2-methoxyphenyl)butanal
CID 117458994
methyl 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117490300
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate (CID 117488003) is methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate is CCc1cc(Br)c(OC)c(C(O)C(=O)OC)c1.
What is the InChIKey of methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is BVYWICOELPZWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-4-7-5-8(10(14)12(15)17-3)11(16-2)9(13)6-7/h5-6,10,14H,4H2,1-3H3.
What are the key properties of methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 303.15 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117488003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).