methyl 2-bromo-6-methoxy-4-methylbenzoate

C10H11BrO3 — CID 131571663

IUPACmethyl 2-bromo-6-methoxy-4-methylbenzoate
SMILESCOC(=O)c1c(Br)cc(C)cc1OC
InChIInChI=1S/C10H11BrO3/c1-6-4-7(11)9(10(12)14-3)8(5-6)13-2/h4-5H,1-3H3
InChIKeySXAQGEJDRILTDL-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-bromo-6-methoxy-4-methylbenzoate

methyl 2-bromo-6-methoxy-4-methylbenzoate (PubChem CID 131571663) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 2-bromo-6-methoxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-bromo-6-methoxy-4-methylbenzoate
PubChem CID131571663
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namemethyl 2-bromo-6-methoxy-4-methylbenzoate
SMILESCOC(=O)c1c(Br)cc(C)cc1OC
InChIInChI=1S/C10H11BrO3/c1-6-4-7(11)9(10(12)14-3)8(5-6)13-2/h4-5H,1-3H3
InChIKeySXAQGEJDRILTDL-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

2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
methyl 2-iodo-3-methoxy-5-methylbenzoate
CID 14138386
methyl 2-bromo-4,6-dibutoxybenzoate
CID 70859460
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-6-methoxy-4-methylbenzoate?
The IUPAC name of methyl 2-bromo-6-methoxy-4-methylbenzoate (CID 131571663) is methyl 2-bromo-6-methoxy-4-methylbenzoate.
What is the SMILES notation for methyl 2-bromo-6-methoxy-4-methylbenzoate?
The canonical SMILES for methyl 2-bromo-6-methoxy-4-methylbenzoate is COC(=O)c1c(Br)cc(C)cc1OC.
What is the InChIKey of methyl 2-bromo-6-methoxy-4-methylbenzoate?
The InChIKey is SXAQGEJDRILTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-4-7(11)9(10(12)14-3)8(5-6)13-2/h4-5H,1-3H3.
What are the key properties of methyl 2-bromo-6-methoxy-4-methylbenzoate?
methyl 2-bromo-6-methoxy-4-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 2-bromo-6-methoxy-4-methylbenzoate is sourced from PubChem (CID 131571663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).