methyl 3-bromo-4-(4-chlorophenoxy)benzoate

C14H10BrClO3 — CID 66666627

IUPACmethyl 3-bromo-4-(4-chlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H10BrClO3/c1-18-14(17)9-2-7-13(12(15)8-9)19-11-5-3-10(16)4-6-11/h2-8H,1H3
InChIKeyARJMMFACEQCYGC-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.68
Rot. Bonds3

About methyl 3-bromo-4-(4-chlorophenoxy)benzoate

methyl 3-bromo-4-(4-chlorophenoxy)benzoate (PubChem CID 66666627) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is methyl 3-bromo-4-(4-chlorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-bromo-4-(4-chlorophenoxy)benzoate
PubChem CID66666627
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Namemethyl 3-bromo-4-(4-chlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H10BrClO3/c1-18-14(17)9-2-7-13(12(15)8-9)19-11-5-3-10(16)4-6-11/h2-8H,1H3
InChIKeyARJMMFACEQCYGC-UHFFFAOYSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
methyl 4-(4-chlorophenoxy)-3-pyrrolidin-1-ylbenzoate
CID 57203734
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
methyl 3-bromo-4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 102765334
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
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514
methyl 3-bromo-4-(4-fluorobenzoyl)oxybenzoate
CID 4953522
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
methyl 3-bromo-4-(3-oxobutan-2-yloxy)benzoate
CID 139560138

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-(4-chlorophenoxy)benzoate?
The IUPAC name of methyl 3-bromo-4-(4-chlorophenoxy)benzoate (CID 66666627) is methyl 3-bromo-4-(4-chlorophenoxy)benzoate.
What is the SMILES notation for methyl 3-bromo-4-(4-chlorophenoxy)benzoate?
The canonical SMILES for methyl 3-bromo-4-(4-chlorophenoxy)benzoate is COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of methyl 3-bromo-4-(4-chlorophenoxy)benzoate?
The InChIKey is ARJMMFACEQCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c1-18-14(17)9-2-7-13(12(15)8-9)19-11-5-3-10(16)4-6-11/h2-8H,1H3.
What are the key properties of methyl 3-bromo-4-(4-chlorophenoxy)benzoate?
methyl 3-bromo-4-(4-chlorophenoxy)benzoate has a molecular weight of 341.59 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-4-(4-chlorophenoxy)benzoate is sourced from PubChem (CID 66666627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).