methyl 2-bromo-5-(2-methylphenyl)benzoate

C15H13BrO2 — CID 170794913

IUPACmethyl 2-bromo-5-(2-methylphenyl)benzoate
SMILESCOC(=O)c1cc(-c2ccccc2C)ccc1Br
InChIInChI=1S/C15H13BrO2/c1-10-5-3-4-6-12(10)11-7-8-14(16)13(9-11)15(17)18-2/h3-9H,1-2H3
InChIKeyUOAWAZKISWXHHP-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.21
Rot. Bonds2

About methyl 2-bromo-5-(2-methylphenyl)benzoate

methyl 2-bromo-5-(2-methylphenyl)benzoate (PubChem CID 170794913) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is methyl 2-bromo-5-(2-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-bromo-5-(2-methylphenyl)benzoate
PubChem CID170794913
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Namemethyl 2-bromo-5-(2-methylphenyl)benzoate
SMILESCOC(=O)c1cc(-c2ccccc2C)ccc1Br
InChIInChI=1S/C15H13BrO2/c1-10-5-3-4-6-12(10)11-7-8-14(16)13(9-11)15(17)18-2/h3-9H,1-2H3
InChIKeyUOAWAZKISWXHHP-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-bromo-5-methylbenzoate
CID 15110996
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid;methyl 2-bromo-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 158579784
methyl 2-bromo-5-[4-(hydroxymethyl)phenyl]benzoate
CID 170794940
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
methyl 3-methyl-6-[4-(2-methylphenyl)phenyl]-1,2-dihydrobenzotriazole-4-carboxylate
CID 90369946
methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
methyl 2-bromo-5-(cyclooctatetraenyl)benzoate
CID 90827911
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
methyl 4-(4-bromo-3-carbamoylphenyl)benzoate
CID 170794910

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-(2-methylphenyl)benzoate?
The IUPAC name of methyl 2-bromo-5-(2-methylphenyl)benzoate (CID 170794913) is methyl 2-bromo-5-(2-methylphenyl)benzoate.
What is the SMILES notation for methyl 2-bromo-5-(2-methylphenyl)benzoate?
The canonical SMILES for methyl 2-bromo-5-(2-methylphenyl)benzoate is COC(=O)c1cc(-c2ccccc2C)ccc1Br.
What is the InChIKey of methyl 2-bromo-5-(2-methylphenyl)benzoate?
The InChIKey is UOAWAZKISWXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-10-5-3-4-6-12(10)11-7-8-14(16)13(9-11)15(17)18-2/h3-9H,1-2H3.
What are the key properties of methyl 2-bromo-5-(2-methylphenyl)benzoate?
methyl 2-bromo-5-(2-methylphenyl)benzoate has a molecular weight of 305.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-(2-methylphenyl)benzoate is sourced from PubChem (CID 170794913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).