1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone

C15H16O3 — CID 62029059

IUPAC1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
SMILESCc1ccc(C(=O)COCc2ccco2)c(C)c1
InChIInChI=1S/C15H16O3/c1-11-5-6-14(12(2)8-11)15(16)10-17-9-13-4-3-7-18-13/h3-8H,9-10H2,1-2H3
InChIKeyARLVCNZRRHLZQQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone

1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone (PubChem CID 62029059) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
PubChem CID62029059
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
SMILESCc1ccc(C(=O)COCc2ccco2)c(C)c1
InChIInChI=1S/C15H16O3/c1-11-5-6-14(12(2)8-11)15(16)10-17-9-13-4-3-7-18-13/h3-8H,9-10H2,1-2H3
InChIKeyARLVCNZRRHLZQQ-UHFFFAOYSA-N
XLogP3.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 82120685
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029821
1-(2,4-dimethylphenyl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956283
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
CID 79622612
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone (CID 62029059) is 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone is Cc1ccc(C(=O)COCc2ccco2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone?
The InChIKey is ARLVCNZRRHLZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11-5-6-14(12(2)8-11)15(16)10-17-9-13-4-3-7-18-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone has a molecular weight of 244.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone is sourced from PubChem (CID 62029059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).