1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one

C15H16O4 — CID 105098345

IUPAC1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)CCc2ccco2)c1
InChIInChI=1S/C15H16O4/c1-17-12-6-8-15(18-2)13(10-12)14(16)7-5-11-4-3-9-19-11/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyRVIBYZSSQVOJJG-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.11
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one

1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 105098345) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
PubChem CID105098345
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)CCc2ccco2)c1
InChIInChI=1S/C15H16O4/c1-17-12-6-8-15(18-2)13(10-12)14(16)7-5-11-4-3-9-19-11/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyRVIBYZSSQVOJJG-UHFFFAOYSA-N
XLogP3.11
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
CID 82101102
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one
CID 105085257
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one (CID 105098345) is 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one is COc1ccc(OC)c(C(=O)CCc2ccco2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is RVIBYZSSQVOJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-17-12-6-8-15(18-2)13(10-12)14(16)7-5-11-4-3-9-19-11/h3-4,6,8-10H,5,7H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one?
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 260.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105098345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).