(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone

C16H14F2O2 — CID 115794368

IUPAC(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)ccc(C)c2F)ccc1C
InChIInChI=1S/C16H14F2O2/c1-9-4-6-11(8-13(9)20-3)16(19)14-12(17)7-5-10(2)15(14)18/h4-8H,1-3H3
InChIKeyZJXYQNLUXMKVKE-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.82
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone

(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 115794368) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID115794368
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)ccc(C)c2F)ccc1C
InChIInChI=1S/C16H14F2O2/c1-9-4-6-11(8-13(9)20-3)16(19)14-12(17)7-5-10(2)15(14)18/h4-8H,1-3H3
InChIKeyZJXYQNLUXMKVKE-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

(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone (CID 115794368) is (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2c(F)ccc(C)c2F)ccc1C.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is ZJXYQNLUXMKVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-4-6-11(8-13(9)20-3)16(19)14-12(17)7-5-10(2)15(14)18/h4-8H,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)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 (2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 115794368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).