1-(5-methylfuran-2-yl)-2-phenylethanone

C13H12O2 — CID 4610358

IUPAC1-(5-methylfuran-2-yl)-2-phenylethanone
SMILESCc1ccc(C(=O)Cc2ccccc2)o1
InChIInChI=1S/C13H12O2/c1-10-7-8-13(15-10)12(14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyLCNSYTLENZGGRB-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.01
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-2-phenylethanone

1-(5-methylfuran-2-yl)-2-phenylethanone (PubChem CID 4610358) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-phenylethanone
PubChem CID4610358
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-(5-methylfuran-2-yl)-2-phenylethanone
SMILESCc1ccc(C(=O)Cc2ccccc2)o1
InChIInChI=1S/C13H12O2/c1-10-7-8-13(15-10)12(14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyLCNSYTLENZGGRB-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
CID 61054883
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
CID 61056697
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
1-(5-methylfuran-2-yl)-2-(2-nitrophenyl)ethanone
CID 61055874
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232326
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
3-methyl-1-(5-methylfuran-2-yl)pentan-1-one
CID 114874036
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-phenylethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-phenylethanone (CID 4610358) is 1-(5-methylfuran-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-phenylethanone is Cc1ccc(C(=O)Cc2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-phenylethanone?
The InChIKey is LCNSYTLENZGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-10-7-8-13(15-10)12(14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-phenylethanone?
1-(5-methylfuran-2-yl)-2-phenylethanone has a molecular weight of 200.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-phenylethanone is sourced from PubChem (CID 4610358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).