(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone

C19H12BrFO2 — CID 11501584

IUPAC(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C19H12BrFO2/c20-14-8-11-17(18(21)12-14)19(22)13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-12H
InChIKeySACYJUWOFIZJAZ-UHFFFAOYSA-N
MW371.21 g/mol
LogP5.61
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone

(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone (PubChem CID 11501584) has the molecular formula C19H12BrFO2 and a molecular weight of 371.21 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
PubChem CID11501584
Molecular FormulaC19H12BrFO2
Molecular Weight371.21 g/mol
Exact Mass370.00
IUPAC Name(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C19H12BrFO2/c20-14-8-11-17(18(21)12-14)19(22)13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-12H
InChIKeySACYJUWOFIZJAZ-UHFFFAOYSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.21
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone (CID 11501584) is (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone?
The InChIKey is SACYJUWOFIZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFO2/c20-14-8-11-17(18(21)12-14)19(22)13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-12H.
What are the key properties of (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone?
(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone has a molecular weight of 371.21 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 11501584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).