(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone

C15H12Br2O3 — CID 107976718

IUPAC(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)cc(Br)c2)cc1OC
InChIInChI=1S/C15H12Br2O3/c1-19-13-4-3-9(7-14(13)20-2)15(18)10-5-11(16)8-12(17)6-10/h3-8H,1-2H3
InChIKeyFPNGPRYCWQESOK-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.46
Rot. Bonds4

About (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone

(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 107976718) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID107976718
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)cc(Br)c2)cc1OC
InChIInChI=1S/C15H12Br2O3/c1-19-13-4-3-9(7-14(13)20-2)15(18)10-5-11(16)8-12(17)6-10/h3-8H,1-2H3
InChIKeyFPNGPRYCWQESOK-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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Related Compounds

(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone (CID 107976718) is (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Br)cc(Br)c2)cc1OC.
What is the InChIKey of (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is FPNGPRYCWQESOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-19-13-4-3-9(7-14(13)20-2)15(18)10-5-11(16)8-12(17)6-10/h3-8H,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)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 (3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 107976718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).