methyl 2-bromo-3-(2-methoxyethenyl)benzoate

C11H11BrO3 — CID 140927615

IUPACmethyl 2-bromo-3-(2-methoxyethenyl)benzoate
SMILESCOC=Cc1cccc(C(=O)OC)c1Br
InChIInChI=1S/C11H11BrO3/c1-14-7-6-8-4-3-5-9(10(8)12)11(13)15-2/h3-7H,1-2H3
InChIKeyRHHAXNINMPWDEH-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-bromo-3-(2-methoxyethenyl)benzoate

methyl 2-bromo-3-(2-methoxyethenyl)benzoate (PubChem CID 140927615) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is methyl 2-bromo-3-(2-methoxyethenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-(2-methoxyethenyl)benzoate
PubChem CID140927615
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Namemethyl 2-bromo-3-(2-methoxyethenyl)benzoate
SMILESCOC=Cc1cccc(C(=O)OC)c1Br
InChIInChI=1S/C11H11BrO3/c1-14-7-6-8-4-3-5-9(10(8)12)11(13)15-2/h3-7H,1-2H3
InChIKeyRHHAXNINMPWDEH-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603
methyl 2-bromo-3-ethynylbenzoate
CID 118078006
methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
3-(2-amino-3-methoxycarbonylphenyl)prop-2-enoic acid
CID 169460852
methyl 2-amino-3-(3-bromoprop-1-enyl)benzoate
CID 169476085
methyl 2-[(Z)-4-methoxy-3,4-dioxobut-1-enyl]benzoate
CID 11708584
methyl 2-bromo-3-(2-chloropropanoyl)benzoate
CID 134648539
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-(2-methoxyethenyl)benzoate?
The IUPAC name of methyl 2-bromo-3-(2-methoxyethenyl)benzoate (CID 140927615) is methyl 2-bromo-3-(2-methoxyethenyl)benzoate.
What is the SMILES notation for methyl 2-bromo-3-(2-methoxyethenyl)benzoate?
The canonical SMILES for methyl 2-bromo-3-(2-methoxyethenyl)benzoate is COC=Cc1cccc(C(=O)OC)c1Br.
What is the InChIKey of methyl 2-bromo-3-(2-methoxyethenyl)benzoate?
The InChIKey is RHHAXNINMPWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-14-7-6-8-4-3-5-9(10(8)12)11(13)15-2/h3-7H,1-2H3.
What are the key properties of methyl 2-bromo-3-(2-methoxyethenyl)benzoate?
methyl 2-bromo-3-(2-methoxyethenyl)benzoate has a molecular weight of 271.11 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-(2-methoxyethenyl)benzoate is sourced from PubChem (CID 140927615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).