bis(3-bromo-4-methoxyphenyl)methanone

C15H12Br2O3 — CID 1378451

IUPACbis(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C15H12Br2O3/c1-19-13-5-3-9(7-11(13)16)15(18)10-4-6-14(20-2)12(17)8-10/h3-8H,1-2H3
InChIKeyMFPLDJKNBZRCBS-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.46
Rot. Bonds4

About bis(3-bromo-4-methoxyphenyl)methanone

bis(3-bromo-4-methoxyphenyl)methanone (PubChem CID 1378451) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is bis(3-bromo-4-methoxyphenyl)methanone.

Molecular Properties

Compound Namebis(3-bromo-4-methoxyphenyl)methanone
PubChem CID1378451
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Namebis(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C15H12Br2O3/c1-19-13-5-3-9(7-11(13)16)15(18)10-4-6-14(20-2)12(17)8-10/h3-8H,1-2H3
InChIKeyMFPLDJKNBZRCBS-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-4-methoxyphenyl)methanone?
The IUPAC name of bis(3-bromo-4-methoxyphenyl)methanone (CID 1378451) is bis(3-bromo-4-methoxyphenyl)methanone.
What is the SMILES notation for bis(3-bromo-4-methoxyphenyl)methanone?
The canonical SMILES for bis(3-bromo-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(OC)c(Br)c2)cc1Br.
What is the InChIKey of bis(3-bromo-4-methoxyphenyl)methanone?
The InChIKey is MFPLDJKNBZRCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-19-13-5-3-9(7-11(13)16)15(18)10-4-6-14(20-2)12(17)8-10/h3-8H,1-2H3.
What are the key properties of bis(3-bromo-4-methoxyphenyl)methanone?
bis(3-bromo-4-methoxyphenyl)methanone has a molecular weight of 400.07 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-4-methoxyphenyl)methanone is sourced from PubChem (CID 1378451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).