(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

C16H14BrFO2 — CID 115797912

IUPAC(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C16H14BrFO2/c1-9-7-15(20-3)10(2)6-12(9)16(19)11-4-5-13(17)14(18)8-11/h4-8H,1-3H3
InChIKeyRTESTCSXPOHSJB-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.44
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 115797912) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID115797912
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C16H14BrFO2/c1-9-7-15(20-3)10(2)6-12(9)16(19)11-4-5-13(17)14(18)8-11/h4-8H,1-3H3
InChIKeyRTESTCSXPOHSJB-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

(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
CID 114270603
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 115797912) is (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2ccc(Br)c(F)c2)cc1C.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is RTESTCSXPOHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-9-7-15(20-3)10(2)6-12(9)16(19)11-4-5-13(17)14(18)8-11/h4-8H,1-3H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(4-bromo-3-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 (4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115797912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).