(4-bromo-2-fluorophenyl) 3-phenoxybenzoate

C19H12BrFO3 — CID 7924595

IUPAC(4-bromo-2-fluorophenyl) 3-phenoxybenzoate
SMILESO=C(Oc1ccc(Br)cc1F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H12BrFO3/c20-14-9-10-18(17(21)12-14)24-19(22)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-12H
InChIKeyQKKJGFFPYRNJCW-UHFFFAOYSA-N
MW387.20 g/mol
LogP5.60
Rot. Bonds4

About (4-bromo-2-fluorophenyl) 3-phenoxybenzoate

(4-bromo-2-fluorophenyl) 3-phenoxybenzoate (PubChem CID 7924595) has the molecular formula C19H12BrFO3 and a molecular weight of 387.20 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl) 3-phenoxybenzoate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl) 3-phenoxybenzoate
PubChem CID7924595
Molecular FormulaC19H12BrFO3
Molecular Weight387.20 g/mol
Exact Mass386.00
IUPAC Name(4-bromo-2-fluorophenyl) 3-phenoxybenzoate
SMILESO=C(Oc1ccc(Br)cc1F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H12BrFO3/c20-14-9-10-18(17(21)12-14)24-19(22)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-12H
InChIKeyQKKJGFFPYRNJCW-UHFFFAOYSA-N
XLogP5.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl) 3-phenoxybenzoate
CID 7900834
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
(4-bromo-2-fluorophenyl) 4-phenylmethoxybenzoate
CID 20586871
(4-bromo-2-methylphenyl) 3-(2-phenoxyethoxy)benzoate
CID 23012119
(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
CID 11501584
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
(4-bromo-2-fluorophenyl) 5-bromofuran-2-carboxylate
CID 16551440
3-(6-bromonaphthalen-2-yl)oxybenzoic acid
CID 63941501
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
(4-bromo-2-formylphenyl) 3-bromobenzoate
CID 4766842
(2,4-dibromophenyl) 4-benzoylbenzoate
CID 2316078
5-bromo-2-[3-(2-ethoxyethoxy)benzoyl]oxybenzoic acid
CID 54854445

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl) 3-phenoxybenzoate?
The IUPAC name of (4-bromo-2-fluorophenyl) 3-phenoxybenzoate (CID 7924595) is (4-bromo-2-fluorophenyl) 3-phenoxybenzoate.
What is the SMILES notation for (4-bromo-2-fluorophenyl) 3-phenoxybenzoate?
The canonical SMILES for (4-bromo-2-fluorophenyl) 3-phenoxybenzoate is O=C(Oc1ccc(Br)cc1F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl) 3-phenoxybenzoate?
The InChIKey is QKKJGFFPYRNJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFO3/c20-14-9-10-18(17(21)12-14)24-19(22)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-12H.
What are the key properties of (4-bromo-2-fluorophenyl) 3-phenoxybenzoate?
(4-bromo-2-fluorophenyl) 3-phenoxybenzoate has a molecular weight of 387.20 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl) 3-phenoxybenzoate is sourced from PubChem (CID 7924595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).