(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone

C15H11BrClFO3 — CID 82873343

IUPAC(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(F)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H11BrClFO3/c1-20-9-6-10(16)14(13(7-9)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7H,1-2H3
InChIKeyQOAMBCACIAYJQZ-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.49
Rot. Bonds4

About (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone

(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone (PubChem CID 82873343) has the molecular formula C15H11BrClFO3 and a molecular weight of 373.61 g/mol. Its IUPAC name is (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
PubChem CID82873343
Molecular FormulaC15H11BrClFO3
Molecular Weight373.61 g/mol
Exact Mass371.96
IUPAC Name(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(F)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H11BrClFO3/c1-20-9-6-10(16)14(13(7-9)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7H,1-2H3
InChIKeyQOAMBCACIAYJQZ-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone?
The IUPAC name of (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone (CID 82873343) is (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone is COc1cc(Br)c(C(=O)c2ccc(F)c(Cl)c2)c(OC)c1.
What is the InChIKey of (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone?
The InChIKey is QOAMBCACIAYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO3/c1-20-9-6-10(16)14(13(7-9)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7H,1-2H3.
What are the key properties of (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone?
(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone has a molecular weight of 373.61 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 82873343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).