methyl 2-bromo-6-phenylbenzoate

C14H11BrO2 — CID 13352656

IUPACmethyl 2-bromo-6-phenylbenzoate
SMILESCOC(=O)c1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C14H11BrO2/c1-17-14(16)13-11(8-5-9-12(13)15)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyVODHFQIHLGCWIL-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.90
Rot. Bonds2

About methyl 2-bromo-6-phenylbenzoate

methyl 2-bromo-6-phenylbenzoate (PubChem CID 13352656) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is methyl 2-bromo-6-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-bromo-6-phenylbenzoate
PubChem CID13352656
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Namemethyl 2-bromo-6-phenylbenzoate
SMILESCOC(=O)c1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C14H11BrO2/c1-17-14(16)13-11(8-5-9-12(13)15)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyVODHFQIHLGCWIL-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-bromo-4-phenylpyridine-3-carboxylate
CID 54459552
methyl 2-phenyl-6-(trifluoromethylsulfonyloxy)benzoate
CID 87553896
methyl 2-bromo-6-methylsulfanylbenzoate
CID 91880735
methyl 2,4-diphenylthiophene-3-carboxylate
CID 12733358
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
methyl 2-bromo-6-(2-oxopropyl)benzoate
CID 134648674
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
methyl 2-bromo-6-cyanobenzoate
CID 91882284
methyl 2-isocyano-3-phenylbenzoate
CID 71497474
methyl 2-bromo-6-(5-carbamoyl-2H-triazol-4-yl)benzoate
CID 169404868
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-6-phenylbenzoate?
The IUPAC name of methyl 2-bromo-6-phenylbenzoate (CID 13352656) is methyl 2-bromo-6-phenylbenzoate.
What is the SMILES notation for methyl 2-bromo-6-phenylbenzoate?
The canonical SMILES for methyl 2-bromo-6-phenylbenzoate is COC(=O)c1c(Br)cccc1-c1ccccc1.
What is the InChIKey of methyl 2-bromo-6-phenylbenzoate?
The InChIKey is VODHFQIHLGCWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-17-14(16)13-11(8-5-9-12(13)15)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of methyl 2-bromo-6-phenylbenzoate?
methyl 2-bromo-6-phenylbenzoate has a molecular weight of 291.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-6-phenylbenzoate is sourced from PubChem (CID 13352656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).