(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone

C16H14F2O2 — CID 65433422

IUPAC(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H14F2O2/c1-9-7-11(8-10(2)15(9)18)16(19)14-12(17)5-4-6-13(14)20-3/h4-8H,1-3H3
InChIKeyKBVLVEXEWMHTOC-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.82
Rot. Bonds3

About (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone

(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 65433422) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID65433422
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H14F2O2/c1-9-7-11(8-10(2)15(9)18)16(19)14-12(17)5-4-6-13(14)20-3/h4-8H,1-3H3
InChIKeyKBVLVEXEWMHTOC-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(2-fluoro-6-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005289
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone (CID 65433422) is (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)c1cc(C)c(F)c(C)c1.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is KBVLVEXEWMHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-7-11(8-10(2)15(9)18)16(19)14-12(17)5-4-6-13(14)20-3/h4-8H,1-3H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 276.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 65433422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).