methyl 2-(4-bromo-2-fluorophenoxy)benzoate

C14H10BrFO3 — CID 90285144

IUPACmethyl 2-(4-bromo-2-fluorophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFO3/c1-18-14(17)10-4-2-3-5-12(10)19-13-7-6-9(15)8-11(13)16/h2-8H,1H3
InChIKeyVPEDVBGTIZLMLP-UHFFFAOYSA-N
MW325.13 g/mol
LogP4.17
Rot. Bonds3

About methyl 2-(4-bromo-2-fluorophenoxy)benzoate

methyl 2-(4-bromo-2-fluorophenoxy)benzoate (PubChem CID 90285144) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-fluorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-fluorophenoxy)benzoate
PubChem CID90285144
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Namemethyl 2-(4-bromo-2-fluorophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFO3/c1-18-14(17)10-4-2-3-5-12(10)19-13-7-6-9(15)8-11(13)16/h2-8H,1H3
InChIKeyVPEDVBGTIZLMLP-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-2-(2-nitrophenoxy)benzoate
CID 58522499
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
5-bromo-2-(4-fluorophenoxy)benzoic acid;methyl 5-bromo-2-(4-fluorophenoxy)benzoate
CID 164969809
methyl 2-[3-[3-(4-bromo-2-ethylphenoxy)propoxy]-2-propylphenoxy]benzoate
CID 142063876
methyl 5-bromo-2-(4-fluorobenzoyl)oxybenzoate
CID 17339880
3-[2-(4-bromo-2-fluorophenoxy)phenoxy]-3-methylsulfonylpropanamide
CID 57196590
6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid
CID 67383477
methyl 5-amino-2-(2-bromophenoxy)benzoate
CID 61305622
methyl 4-bromo-2-fluoro-6-(2-iodophenoxy)benzoate
CID 166637684
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630
methyl 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzoate
CID 61299463
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-fluorophenoxy)benzoate?
The IUPAC name of methyl 2-(4-bromo-2-fluorophenoxy)benzoate (CID 90285144) is methyl 2-(4-bromo-2-fluorophenoxy)benzoate.
What is the SMILES notation for methyl 2-(4-bromo-2-fluorophenoxy)benzoate?
The canonical SMILES for methyl 2-(4-bromo-2-fluorophenoxy)benzoate is COC(=O)c1ccccc1Oc1ccc(Br)cc1F.
What is the InChIKey of methyl 2-(4-bromo-2-fluorophenoxy)benzoate?
The InChIKey is VPEDVBGTIZLMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c1-18-14(17)10-4-2-3-5-12(10)19-13-7-6-9(15)8-11(13)16/h2-8H,1H3.
What are the key properties of methyl 2-(4-bromo-2-fluorophenoxy)benzoate?
methyl 2-(4-bromo-2-fluorophenoxy)benzoate has a molecular weight of 325.13 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-fluorophenoxy)benzoate is sourced from PubChem (CID 90285144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).