methyl 6-bromo-3-methoxy-2-methylbenzoate

C10H11BrO3 — CID 54335079

IUPACmethyl 6-bromo-3-methoxy-2-methylbenzoate
SMILESCOC(=O)c1c(Br)ccc(OC)c1C
InChIInChI=1S/C10H11BrO3/c1-6-8(13-2)5-4-7(11)9(6)10(12)14-3/h4-5H,1-3H3
InChIKeyTUXBCXWWUOZFOX-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.55
Rot. Bonds2

About methyl 6-bromo-3-methoxy-2-methylbenzoate

methyl 6-bromo-3-methoxy-2-methylbenzoate (PubChem CID 54335079) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 6-bromo-3-methoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 6-bromo-3-methoxy-2-methylbenzoate
PubChem CID54335079
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namemethyl 6-bromo-3-methoxy-2-methylbenzoate
SMILESCOC(=O)c1c(Br)ccc(OC)c1C
InChIInChI=1S/C10H11BrO3/c1-6-8(13-2)5-4-7(11)9(6)10(12)14-3/h4-5H,1-3H3
InChIKeyTUXBCXWWUOZFOX-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-methoxy-2-methylbenzoate?
The IUPAC name of methyl 6-bromo-3-methoxy-2-methylbenzoate (CID 54335079) is methyl 6-bromo-3-methoxy-2-methylbenzoate.
What is the SMILES notation for methyl 6-bromo-3-methoxy-2-methylbenzoate?
The canonical SMILES for methyl 6-bromo-3-methoxy-2-methylbenzoate is COC(=O)c1c(Br)ccc(OC)c1C.
What is the InChIKey of methyl 6-bromo-3-methoxy-2-methylbenzoate?
The InChIKey is TUXBCXWWUOZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-8(13-2)5-4-7(11)9(6)10(12)14-3/h4-5H,1-3H3.
What are the key properties of methyl 6-bromo-3-methoxy-2-methylbenzoate?
methyl 6-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 6-bromo-3-methoxy-2-methylbenzoate is sourced from PubChem (CID 54335079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).