methyl 4-(2-bromo-6-methylphenoxy)benzoate

C15H13BrO3 — CID 170962479

IUPACmethyl 4-(2-bromo-6-methylphenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2c(C)cccc2Br)cc1
InChIInChI=1S/C15H13BrO3/c1-10-4-3-5-13(16)14(10)19-12-8-6-11(7-9-12)15(17)18-2/h3-9H,1-2H3
InChIKeyGTACVBBENIAPAX-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.34
Rot. Bonds3

About methyl 4-(2-bromo-6-methylphenoxy)benzoate

methyl 4-(2-bromo-6-methylphenoxy)benzoate (PubChem CID 170962479) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is methyl 4-(2-bromo-6-methylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-bromo-6-methylphenoxy)benzoate
PubChem CID170962479
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Namemethyl 4-(2-bromo-6-methylphenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2c(C)cccc2Br)cc1
InChIInChI=1S/C15H13BrO3/c1-10-4-3-5-13(16)14(10)19-12-8-6-11(7-9-12)15(17)18-2/h3-9H,1-2H3
InChIKeyGTACVBBENIAPAX-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-bromo-2,6-dimethyl-4-methylsulfonylphenoxy)benzoate
CID 175194519
4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide
CID 4686155
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
(4-methoxycarbonylphenyl) 2-methylbenzoate
CID 576739
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-bromo-6-methylphenoxy)benzoate?
The IUPAC name of methyl 4-(2-bromo-6-methylphenoxy)benzoate (CID 170962479) is methyl 4-(2-bromo-6-methylphenoxy)benzoate.
What is the SMILES notation for methyl 4-(2-bromo-6-methylphenoxy)benzoate?
The canonical SMILES for methyl 4-(2-bromo-6-methylphenoxy)benzoate is COC(=O)c1ccc(Oc2c(C)cccc2Br)cc1.
What is the InChIKey of methyl 4-(2-bromo-6-methylphenoxy)benzoate?
The InChIKey is GTACVBBENIAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-10-4-3-5-13(16)14(10)19-12-8-6-11(7-9-12)15(17)18-2/h3-9H,1-2H3.
What are the key properties of methyl 4-(2-bromo-6-methylphenoxy)benzoate?
methyl 4-(2-bromo-6-methylphenoxy)benzoate has a molecular weight of 321.17 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-bromo-6-methylphenoxy)benzoate is sourced from PubChem (CID 170962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).