(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone

C15H12Br2O3 — CID 115785475

IUPAC(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H12Br2O3/c1-19-11-5-9(6-12(8-11)20-2)15(18)13-7-10(16)3-4-14(13)17/h3-8H,1-2H3
InChIKeyADAJSYOQEXNHNW-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.46
Rot. Bonds4

About (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone

(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 115785475) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
PubChem CID115785475
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H12Br2O3/c1-19-11-5-9(6-12(8-11)20-2)15(18)13-7-10(16)3-4-14(13)17/h3-8H,1-2H3
InChIKeyADAJSYOQEXNHNW-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

(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
4-bromo-2-(4-methoxybenzoyl)benzonitrile
CID 121004784
(4-methoxyphenyl) 2,5-dibromobenzoate
CID 990766
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone (CID 115785475) is (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is ADAJSYOQEXNHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-19-11-5-9(6-12(8-11)20-2)15(18)13-7-10(16)3-4-14(13)17/h3-8H,1-2H3.
What are the key properties of (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone?
(2,5-dibromophenyl)-(3,5-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 (2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 115785475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).