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

C14H11BrO3 — CID 175028755

IUPACmethyl 3-bromo-5-(2-hydroxyphenyl)benzoate
SMILESCOC(=O)c1cc(Br)cc(-c2ccccc2O)c1
InChIInChI=1S/C14H11BrO3/c1-18-14(17)10-6-9(7-11(15)8-10)12-4-2-3-5-13(12)16/h2-8,16H,1H3
InChIKeyYRORSYNTNKSGJM-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.61
Rot. Bonds2

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

methyl 3-bromo-5-(2-hydroxyphenyl)benzoate (PubChem CID 175028755) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is methyl 3-bromo-5-(2-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-bromo-5-(2-hydroxyphenyl)benzoate
PubChem CID175028755
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Namemethyl 3-bromo-5-(2-hydroxyphenyl)benzoate
SMILESCOC(=O)c1cc(Br)cc(-c2ccccc2O)c1
InChIInChI=1S/C14H11BrO3/c1-18-14(17)10-6-9(7-11(15)8-10)12-4-2-3-5-13(12)16/h2-8,16H,1H3
InChIKeyYRORSYNTNKSGJM-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
methyl 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-bromobenzoate;methyl 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-isocyanobenzoate;methyl 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate
CID 137155188
methyl 3-bromo-5-(4-fluorophenyl)benzoate
CID 69068418
methyl 2-(3-bromo-5-chlorophenyl)benzoate
CID 142754386
methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 3-bromo-5-hydroxy-4-phenylbenzoate
CID 134986293
ethane;methyl 3-bromo-5-methylbenzoate
CID 143959951
tert-butyl 3-bromo-5-(2-ethoxyphenyl)benzoate
CID 170794832
methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
CID 117222442
methyl hydrogen carbonate;2-phenylphenol
CID 67829227

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-(2-hydroxyphenyl)benzoate?
The IUPAC name of methyl 3-bromo-5-(2-hydroxyphenyl)benzoate (CID 175028755) is methyl 3-bromo-5-(2-hydroxyphenyl)benzoate.
What is the SMILES notation for methyl 3-bromo-5-(2-hydroxyphenyl)benzoate?
The canonical SMILES for methyl 3-bromo-5-(2-hydroxyphenyl)benzoate is COC(=O)c1cc(Br)cc(-c2ccccc2O)c1.
What is the InChIKey of methyl 3-bromo-5-(2-hydroxyphenyl)benzoate?
The InChIKey is YRORSYNTNKSGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-18-14(17)10-6-9(7-11(15)8-10)12-4-2-3-5-13(12)16/h2-8,16H,1H3.
What are the key properties of methyl 3-bromo-5-(2-hydroxyphenyl)benzoate?
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate has a molecular weight of 307.14 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-(2-hydroxyphenyl)benzoate is sourced from PubChem (CID 175028755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).