(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

C16H14BrFO3 — CID 104851011

IUPAC(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)cc(Br)c2)cc1OC
InChIInChI=1S/C16H14BrFO3/c1-9-4-10(6-11(17)5-9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8H,1-3H3
InChIKeyLBMDIOPTSRCKOG-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.14
Rot. Bonds4

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

(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (PubChem CID 104851011) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
PubChem CID104851011
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)cc(Br)c2)cc1OC
InChIInChI=1S/C16H14BrFO3/c1-9-4-10(6-11(17)5-9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8H,1-3H3
InChIKeyLBMDIOPTSRCKOG-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (CID 104851011) is (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is COc1cc(F)c(C(=O)c2cc(C)cc(Br)c2)cc1OC.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The InChIKey is LBMDIOPTSRCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-9-4-10(6-11(17)5-9)16(19)12-7-14(20-2)15(21-3)8-13(12)18/h4-8H,1-3H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone has a molecular weight of 353.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 104851011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).