1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone

C14H16O2 — CID 102650916

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2=CCCO2)cc1C
InChIInChI=1S/C14H16O2/c1-10-5-6-12(8-11(10)2)9-13(15)14-4-3-7-16-14/h4-6,8H,3,7,9H2,1-2H3
InChIKeyLPFMHMBGIOTIAW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.72
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone

1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 102650916) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID102650916
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2=CCCO2)cc1C
InChIInChI=1S/C14H16O2/c1-10-5-6-12(8-11(10)2)9-13(15)14-4-3-7-16-14/h4-6,8H,3,7,9H2,1-2H3
InChIKeyLPFMHMBGIOTIAW-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102650858
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63943802
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(3,4-dimethylphenyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 55196964
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
2-(3,4-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749249
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone (CID 102650916) is 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)C2=CCCO2)cc1C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is LPFMHMBGIOTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-5-6-12(8-11(10)2)9-13(15)14-4-3-7-16-14/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 102650916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).