(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone

C15H11Br2FO3 — CID 105056401

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(F)c2Br)c(OC)cc1Br
InChIInChI=1S/C15H11Br2FO3/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(18)14(8)17/h3-7H,1-2H3
InChIKeyAOXZBLXDDVYTNI-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.60
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone

(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone (PubChem CID 105056401) has the molecular formula C15H11Br2FO3 and a molecular weight of 418.06 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
PubChem CID105056401
Molecular FormulaC15H11Br2FO3
Molecular Weight418.06 g/mol
Exact Mass415.91
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(F)c2Br)c(OC)cc1Br
InChIInChI=1S/C15H11Br2FO3/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(18)14(8)17/h3-7H,1-2H3
InChIKeyAOXZBLXDDVYTNI-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone (CID 105056401) is (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone is COc1cc(C(=O)c2cccc(F)c2Br)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
The InChIKey is AOXZBLXDDVYTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO3/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(18)14(8)17/h3-7H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone has a molecular weight of 418.06 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone is sourced from PubChem (CID 105056401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).