(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

C14H13FO3 — CID 114248875

IUPAC(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(C)o2)c(F)c1
InChIInChI=1S/C14H13FO3/c1-8-6-13(18-9(8)2)14(16)11-5-4-10(17-3)7-12(11)15/h4-7H,1-3H3
InChIKeyDMOIONHJJKAIBM-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.28
Rot. Bonds3

About (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 114248875) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID114248875
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(C)o2)c(F)c1
InChIInChI=1S/C14H13FO3/c1-8-6-13(18-9(8)2)14(16)11-5-4-10(17-3)7-12(11)15/h4-7H,1-3H3
InChIKeyDMOIONHJJKAIBM-UHFFFAOYSA-N
XLogP3.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 114248871
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone
CID 114249173

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 114248875) is (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(C)c(C)o2)c(F)c1.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is DMOIONHJJKAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-8-6-13(18-9(8)2)14(16)11-5-4-10(17-3)7-12(11)15/h4-7H,1-3H3.
What are the key properties of (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 248.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 114248875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).