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

C15H12BrFO3 — CID 43161123

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C15H12BrFO3/c1-19-13-7-11(12(16)8-14(13)20-2)15(18)9-3-5-10(17)6-4-9/h3-8H,1-2H3
InChIKeyNZNYQCACVUSOGN-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.84
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone (PubChem CID 43161123) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
PubChem CID43161123
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C15H12BrFO3/c1-19-13-7-11(12(16)8-14(13)20-2)15(18)9-3-5-10(17)6-4-9/h3-8H,1-2H3
InChIKeyNZNYQCACVUSOGN-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
CID 43338956
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone (CID 43161123) is (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone is COc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone?
The InChIKey is NZNYQCACVUSOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-19-13-7-11(12(16)8-14(13)20-2)15(18)9-3-5-10(17)6-4-9/h3-8H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone has a molecular weight of 339.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 43161123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).