2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone

C15H16O2 — CID 114963390

IUPAC2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C15H16O2/c1-3-12-5-7-13(8-6-12)10-14(16)15-9-4-11(2)17-15/h4-9H,3,10H2,1-2H3
InChIKeyWZXVUXUKUDGDOY-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone

2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone (PubChem CID 114963390) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
PubChem CID114963390
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C15H16O2/c1-3-12-5-7-13(8-6-12)10-14(16)15-9-4-11(2)17-15/h4-9H,3,10H2,1-2H3
InChIKeyWZXVUXUKUDGDOY-UHFFFAOYSA-N
XLogP3.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963994
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
CID 61056697
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
3-methyl-1-(5-methylfuran-2-yl)pentan-1-one
CID 114874036
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
CID 61054883
(E)-3-(4-ethylanilino)-1-(5-methylfuran-2-yl)but-2-en-1-one
CID 126367531
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone (CID 114963390) is 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone is CCc1ccc(CC(=O)c2ccc(C)o2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is WZXVUXUKUDGDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-12-5-7-13(8-6-12)10-14(16)15-9-4-11(2)17-15/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone?
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 114963390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).