methyl 2-(3,5-dibromophenyl)-2-methylpropanoate

C11H12Br2O2 — CID 69031555

IUPACmethyl 2-(3,5-dibromophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2O2/c1-11(2,10(14)15-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3
InChIKeySRABMCWDSXFCJG-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.66
Rot. Bonds2

About methyl 2-(3,5-dibromophenyl)-2-methylpropanoate

methyl 2-(3,5-dibromophenyl)-2-methylpropanoate (PubChem CID 69031555) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is methyl 2-(3,5-dibromophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3,5-dibromophenyl)-2-methylpropanoate
PubChem CID69031555
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Namemethyl 2-(3,5-dibromophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2O2/c1-11(2,10(14)15-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3
InChIKeySRABMCWDSXFCJG-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
CID 105426665
methyl 2-(3-amino-4-hydroxy-5-methylphenyl)-2-methylpropanoate
CID 166557941
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
methyl 2-methyl-2-(4-sulfanylphenyl)propanoate
CID 69138846
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid
CID 116989106
methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate
CID 126586385
methyl 2-(3-amino-4-methylphenyl)-2-methylpropanoate
CID 23125474
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
2-(3-bromo-5-chlorophenyl)-2-methylpropanoic acid
CID 83745273
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl (2S)-2-(3-bromophenyl)-2,3,3,3-tetrafluoropropanoate
CID 125050386

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dibromophenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(3,5-dibromophenyl)-2-methylpropanoate (CID 69031555) is methyl 2-(3,5-dibromophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3,5-dibromophenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3,5-dibromophenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1cc(Br)cc(Br)c1.
What is the InChIKey of methyl 2-(3,5-dibromophenyl)-2-methylpropanoate?
The InChIKey is SRABMCWDSXFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c1-11(2,10(14)15-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3.
What are the key properties of methyl 2-(3,5-dibromophenyl)-2-methylpropanoate?
methyl 2-(3,5-dibromophenyl)-2-methylpropanoate has a molecular weight of 336.02 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dibromophenyl)-2-methylpropanoate is sourced from PubChem (CID 69031555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).