(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone

C15H16O3 — CID 106681878

IUPAC(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1coc(C)c1
InChIInChI=1S/C15H16O3/c1-9-5-10(2)14(13(6-9)17-4)15(16)12-7-11(3)18-8-12/h5-8H,1-4H3
InChIKeyDYGNXJJJVZCAFK-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.44
Rot. Bonds3

About (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone

(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 106681878) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
PubChem CID106681878
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1coc(C)c1
InChIInChI=1S/C15H16O3/c1-9-5-10(2)14(13(6-9)17-4)15(16)12-7-11(3)18-8-12/h5-8H,1-4H3
InChIKeyDYGNXJJJVZCAFK-UHFFFAOYSA-N
XLogP3.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
(5-bromofuran-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681869
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681934
(2-methoxy-4,6-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917333
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone (CID 106681878) is (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone is COc1cc(C)cc(C)c1C(=O)c1coc(C)c1.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is DYGNXJJJVZCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-5-10(2)14(13(6-9)17-4)15(16)12-7-11(3)18-8-12/h5-8H,1-4H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 106681878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).