methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate

C10H13BrO4 — CID 104653955

IUPACmethyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)(O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrO4/c1-6(9(12)14-3)10(2,13)7-4-5-8(11)15-7/h4-6,13H,1-3H3
InChIKeyYIENFFGIZZBGBZ-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.06
Rot. Bonds3

About methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate

methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate (PubChem CID 104653955) has the molecular formula C10H13BrO4 and a molecular weight of 277.11 g/mol. Its IUPAC name is methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate
PubChem CID104653955
Molecular FormulaC10H13BrO4
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Namemethyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)(O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrO4/c1-6(9(12)14-3)10(2,13)7-4-5-8(11)15-7/h4-6,13H,1-3H3
InChIKeyYIENFFGIZZBGBZ-UHFFFAOYSA-N
XLogP2.06
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
CID 104652541
O-[2-(5-bromofuran-2-yl)propan-2-yl]hydroxylamine
CID 117104833
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
CID 83845206
2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
CID 104653909
methyl 2-(5-bromofuran-2-yl)-2-(4-methylanilino)propanoate
CID 104653371
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 62393818
methyl 3,3,3-trihydroxy-2-methylpropanoate
CID 174825227
2-(5-bromofuran-2-yl)-2-(cyclopropylmethylamino)propanamide
CID 104653364
amino-(5-bromofuran-2-yl)-chloromethanol
CID 174473752

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate?
The IUPAC name of methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate (CID 104653955) is methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate?
The canonical SMILES for methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate is COC(=O)C(C)C(C)(O)c1ccc(Br)o1.
What is the InChIKey of methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate?
The InChIKey is YIENFFGIZZBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO4/c1-6(9(12)14-3)10(2,13)7-4-5-8(11)15-7/h4-6,13H,1-3H3.
What are the key properties of methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate?
methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate has a molecular weight of 277.11 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 104653955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).