(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone

C15H16O3 — CID 114248871

IUPAC(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(C)o2)ccc1C
InChIInChI=1S/C15H16O3/c1-9-5-6-12(8-13(9)17-4)15(16)14-7-10(2)11(3)18-14/h5-8H,1-4H3
InChIKeyYSCJNTRLIIOXBI-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.44
Rot. Bonds3

About (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone

(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 114248871) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID114248871
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(C)o2)ccc1C
InChIInChI=1S/C15H16O3/c1-9-5-6-12(8-13(9)17-4)15(16)14-7-10(2)11(3)18-14/h5-8H,1-4H3
InChIKeyYSCJNTRLIIOXBI-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

(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone
CID 114249173
amino 3-methoxy-4-methylbenzoate
CID 175307316
(4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone
CID 130495078
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 104785039
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone (CID 114248871) is (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2cc(C)c(C)o2)ccc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is YSCJNTRLIIOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-5-6-12(8-13(9)17-4)15(16)14-7-10(2)11(3)18-14/h5-8H,1-4H3.
What are the key properties of (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone?
(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)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 (4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 114248871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).