[4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone

C19H10BrCl2FO2 — CID 23057258

IUPAC[4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)c(Oc2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C19H10BrCl2FO2/c20-13-6-7-17(16(23)10-13)25-19-14(21)8-12(9-15(19)22)18(24)11-4-2-1-3-5-11/h1-10H
InChIKeyMMAKIMWWJHCDEE-UHFFFAOYSA-N
MW440.10 g/mol
LogP6.92
Rot. Bonds4

About [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone

[4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone (PubChem CID 23057258) has the molecular formula C19H10BrCl2FO2 and a molecular weight of 440.10 g/mol. Its IUPAC name is [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone
PubChem CID23057258
Molecular FormulaC19H10BrCl2FO2
Molecular Weight440.10 g/mol
Exact Mass437.92
IUPAC Name[4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)c(Oc2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C19H10BrCl2FO2/c20-13-6-7-17(16(23)10-13)25-19-14(21)8-12(9-15(19)22)18(24)11-4-2-1-3-5-11/h1-10H
InChIKeyMMAKIMWWJHCDEE-UHFFFAOYSA-N
XLogP6.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.10
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone?
The IUPAC name of [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone (CID 23057258) is [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone?
The canonical SMILES for [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)c(Oc2ccc(Br)cc2F)c(Cl)c1.
What is the InChIKey of [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone?
The InChIKey is MMAKIMWWJHCDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrCl2FO2/c20-13-6-7-17(16(23)10-13)25-19-14(21)8-12(9-15(19)22)18(24)11-4-2-1-3-5-11/h1-10H.
What are the key properties of [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone?
[4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone has a molecular weight of 440.10 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-fluorophenoxy)-3,5-dichlorophenyl]-phenylmethanone is sourced from PubChem (CID 23057258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).