(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

C15H12BrFO3 — CID 62866561

IUPAC(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H12BrFO3/c1-19-13-7-10(12(17)8-14(13)20-2)15(18)9-5-3-4-6-11(9)16/h3-8H,1-2H3
InChIKeyXEGBDJZSDKXMSI-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.84
Rot. Bonds4

About (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (PubChem CID 62866561) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
PubChem CID62866561
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H12BrFO3/c1-19-13-7-10(12(17)8-14(13)20-2)15(18)9-5-3-4-6-11(9)16/h3-8H,1-2H3
InChIKeyXEGBDJZSDKXMSI-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

(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 104851011
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (CID 62866561) is (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is COc1cc(F)c(C(=O)c2ccccc2Br)cc1OC.
What is the InChIKey of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The InChIKey is XEGBDJZSDKXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-19-13-7-10(12(17)8-14(13)20-2)15(18)9-5-3-4-6-11(9)16/h3-8H,1-2H3.
What are the key properties of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)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-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 62866561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).