(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

C16H14BrFO2 — CID 114894253

IUPAC(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cc(Br)ccc2F)cc1C
InChIInChI=1S/C16H14BrFO2/c1-9-7-15(20-3)10(2)6-12(9)16(19)13-8-11(17)4-5-14(13)18/h4-8H,1-3H3
InChIKeyGXWSBCJNLPGJPQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.44
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 114894253) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID114894253
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cc(Br)ccc2F)cc1C
InChIInChI=1S/C16H14BrFO2/c1-9-7-15(20-3)10(2)6-12(9)16(19)13-8-11(17)4-5-14(13)18/h4-8H,1-3H3
InChIKeyGXWSBCJNLPGJPQ-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797667
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 114894253) is (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2cc(Br)ccc2F)cc1C.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is GXWSBCJNLPGJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-9-7-15(20-3)10(2)6-12(9)16(19)13-8-11(17)4-5-14(13)18/h4-8H,1-3H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 337.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 114894253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).