methyl 2-(1-bromoethenyl)-3-methoxybenzoate

C11H11BrO3 — CID 101402168

IUPACmethyl 2-(1-bromoethenyl)-3-methoxybenzoate
SMILESC=C(Br)c1c(OC)cccc1C(=O)OC
InChIInChI=1S/C11H11BrO3/c1-7(12)10-8(11(13)15-3)5-4-6-9(10)14-2/h4-6H,1H2,2-3H3
InChIKeyRUURQURJYRTLIG-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-(1-bromoethenyl)-3-methoxybenzoate

methyl 2-(1-bromoethenyl)-3-methoxybenzoate (PubChem CID 101402168) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is methyl 2-(1-bromoethenyl)-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(1-bromoethenyl)-3-methoxybenzoate
PubChem CID101402168
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Namemethyl 2-(1-bromoethenyl)-3-methoxybenzoate
SMILESC=C(Br)c1c(OC)cccc1C(=O)OC
InChIInChI=1S/C11H11BrO3/c1-7(12)10-8(11(13)15-3)5-4-6-9(10)14-2/h4-6H,1H2,2-3H3
InChIKeyRUURQURJYRTLIG-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

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Related Compounds

methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
methyl 3-methoxy-2-methylbenzoate
CID 12527049
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-chloro-3-methoxybenzoate
CID 10262208
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 2-amino-3-prop-1-en-2-yloxybenzoate
CID 147554214
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-iodo-6-methoxybenzoate
CID 91882308
methyl 2-(2,2-dibromo-1-methoxyethenyl)benzoate
CID 134891801

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bromoethenyl)-3-methoxybenzoate?
The IUPAC name of methyl 2-(1-bromoethenyl)-3-methoxybenzoate (CID 101402168) is methyl 2-(1-bromoethenyl)-3-methoxybenzoate.
What is the SMILES notation for methyl 2-(1-bromoethenyl)-3-methoxybenzoate?
The canonical SMILES for methyl 2-(1-bromoethenyl)-3-methoxybenzoate is C=C(Br)c1c(OC)cccc1C(=O)OC.
What is the InChIKey of methyl 2-(1-bromoethenyl)-3-methoxybenzoate?
The InChIKey is RUURQURJYRTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-7(12)10-8(11(13)15-3)5-4-6-9(10)14-2/h4-6H,1H2,2-3H3.
What are the key properties of methyl 2-(1-bromoethenyl)-3-methoxybenzoate?
methyl 2-(1-bromoethenyl)-3-methoxybenzoate 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-(1-bromoethenyl)-3-methoxybenzoate is sourced from PubChem (CID 101402168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).