methyl 2-(3-bromo-5-chlorophenyl)benzoate

C14H10BrClO2 — CID 142754386

IUPACmethyl 2-(3-bromo-5-chlorophenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10BrClO2/c1-18-14(17)13-5-3-2-4-12(13)9-6-10(15)8-11(16)7-9/h2-8H,1H3
InChIKeyRMFGOIXYLHOLFA-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.56
Rot. Bonds2

About methyl 2-(3-bromo-5-chlorophenyl)benzoate

methyl 2-(3-bromo-5-chlorophenyl)benzoate (PubChem CID 142754386) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-chlorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-chlorophenyl)benzoate
PubChem CID142754386
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Namemethyl 2-(3-bromo-5-chlorophenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10BrClO2/c1-18-14(17)13-5-3-2-4-12(13)9-6-10(15)8-11(16)7-9/h2-8H,1H3
InChIKeyRMFGOIXYLHOLFA-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(chloromethyl)-5-(2-methoxycarbonylphenyl)phenyl]benzoate
CID 122364093
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
methyl 8-bromo-3-chloronaphthalene-1-carboxylate
CID 154726007
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
methyl 5-bromo-2-fluoro-3-phenylbenzoate
CID 164891347

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-chlorophenyl)benzoate?
The IUPAC name of methyl 2-(3-bromo-5-chlorophenyl)benzoate (CID 142754386) is methyl 2-(3-bromo-5-chlorophenyl)benzoate.
What is the SMILES notation for methyl 2-(3-bromo-5-chlorophenyl)benzoate?
The canonical SMILES for methyl 2-(3-bromo-5-chlorophenyl)benzoate is COC(=O)c1ccccc1-c1cc(Cl)cc(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-5-chlorophenyl)benzoate?
The InChIKey is RMFGOIXYLHOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-18-14(17)13-5-3-2-4-12(13)9-6-10(15)8-11(16)7-9/h2-8H,1H3.
What are the key properties of methyl 2-(3-bromo-5-chlorophenyl)benzoate?
methyl 2-(3-bromo-5-chlorophenyl)benzoate has a molecular weight of 325.59 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-chlorophenyl)benzoate is sourced from PubChem (CID 142754386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).