methyl 5-bromo-3-methoxy-2-methylbenzoate

C10H11BrO3 — CID 70807623

IUPACmethyl 5-bromo-3-methoxy-2-methylbenzoate
SMILESCOC(=O)c1cc(Br)cc(OC)c1C
InChIInChI=1S/C10H11BrO3/c1-6-8(10(12)14-3)4-7(11)5-9(6)13-2/h4-5H,1-3H3
InChIKeyTURXWTGGHMXNIQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.55
Rot. Bonds2

About methyl 5-bromo-3-methoxy-2-methylbenzoate

methyl 5-bromo-3-methoxy-2-methylbenzoate (PubChem CID 70807623) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 5-bromo-3-methoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-bromo-3-methoxy-2-methylbenzoate
PubChem CID70807623
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namemethyl 5-bromo-3-methoxy-2-methylbenzoate
SMILESCOC(=O)c1cc(Br)cc(OC)c1C
InChIInChI=1S/C10H11BrO3/c1-6-8(10(12)14-3)4-7(11)5-9(6)13-2/h4-5H,1-3H3
InChIKeyTURXWTGGHMXNIQ-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-3-(hydroxymethyl)-2-methylbenzoate
CID 170130519
methyl 5-bromo-3-methoxy-2-nitrobenzoate
CID 3527523
methyl 5-bromo-3-methoxy-2-pentylbenzoate
CID 46846009
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 5-bromo-3-(cyclopentylamino)-2-methylbenzoate
CID 70872494
methyl 5-bromo-2-(bromomethyl)-3-fluorobenzoate;methyl 5-bromo-3-fluoro-2-methylbenzoate
CID 175797074
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 5-bromo-2-hydroxy-3-iodobenzoate
CID 3613951

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-methoxy-2-methylbenzoate?
The IUPAC name of methyl 5-bromo-3-methoxy-2-methylbenzoate (CID 70807623) is methyl 5-bromo-3-methoxy-2-methylbenzoate.
What is the SMILES notation for methyl 5-bromo-3-methoxy-2-methylbenzoate?
The canonical SMILES for methyl 5-bromo-3-methoxy-2-methylbenzoate is COC(=O)c1cc(Br)cc(OC)c1C.
What is the InChIKey of methyl 5-bromo-3-methoxy-2-methylbenzoate?
The InChIKey is TURXWTGGHMXNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-8(10(12)14-3)4-7(11)5-9(6)13-2/h4-5H,1-3H3.
What are the key properties of methyl 5-bromo-3-methoxy-2-methylbenzoate?
methyl 5-bromo-3-methoxy-2-methylbenzoate has a molecular weight of 259.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-methoxy-2-methylbenzoate is sourced from PubChem (CID 70807623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).