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

C15H11BrClFO3 — CID 107949762

IUPAC(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(F)c(Br)c2)cc1OC
InChIInChI=1S/C15H11BrClFO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-12(18)10(16)5-8/h3-7H,1-2H3
InChIKeyUCLKAVFNSPVHRH-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.49
Rot. Bonds4

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

(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone (PubChem CID 107949762) has the molecular formula C15H11BrClFO3 and a molecular weight of 373.61 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
PubChem CID107949762
Molecular FormulaC15H11BrClFO3
Molecular Weight373.61 g/mol
Exact Mass371.96
IUPAC Name(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(F)c(Br)c2)cc1OC
InChIInChI=1S/C15H11BrClFO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-12(18)10(16)5-8/h3-7H,1-2H3
InChIKeyUCLKAVFNSPVHRH-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

(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone (CID 107949762) is (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone is COc1cc(Cl)c(C(=O)c2ccc(F)c(Br)c2)cc1OC.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone?
The InChIKey is UCLKAVFNSPVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-12(18)10(16)5-8/h3-7H,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone?
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)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 (3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 107949762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).