methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate

C16H15BrO3 — CID 82976395

IUPACmethyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccc(C)cc1Br
InChIInChI=1S/C16H15BrO3/c1-11-7-8-15(14(17)9-11)20-10-12-5-3-4-6-13(12)16(18)19-2/h3-9H,10H2,1-2H3
InChIKeySUSUOYWGKZBOBT-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.12
Rot. Bonds4

About methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate

methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate (PubChem CID 82976395) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
PubChem CID82976395
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Namemethyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccc(C)cc1Br
InChIInChI=1S/C16H15BrO3/c1-11-7-8-15(14(17)9-11)20-10-12-5-3-4-6-13(12)16(18)19-2/h3-9H,10H2,1-2H3
InChIKeySUSUOYWGKZBOBT-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
methyl 2-amino-6-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 104825390
2-[(2-bromo-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43200113
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid
CID 22680482
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
methyl 2-[(5-bromo-3-pyridinyl)oxymethyl]benzoate
CID 82976044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate?
The IUPAC name of methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate (CID 82976395) is methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate is COC(=O)c1ccccc1COc1ccc(C)cc1Br.
What is the InChIKey of methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate?
The InChIKey is SUSUOYWGKZBOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-11-7-8-15(14(17)9-11)20-10-12-5-3-4-6-13(12)16(18)19-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate?
methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate has a molecular weight of 335.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate is sourced from PubChem (CID 82976395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).