1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one

C20H18O2 — CID 12592856

IUPAC1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)c1oc(C)cc1-c1ccccc1
InChIInChI=1S/C20H18O2/c1-14-13-18(16-9-5-3-6-10-16)20(22-14)19(15(2)21)17-11-7-4-8-12-17/h3-13,19H,1-2H3
InChIKeyPYTUHOXYDQJXEZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.98
Rot. Bonds4

About 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one

1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one (PubChem CID 12592856) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one
PubChem CID12592856
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)c1oc(C)cc1-c1ccccc1
InChIInChI=1S/C20H18O2/c1-14-13-18(16-9-5-3-6-10-16)20(22-14)19(15(2)21)17-11-7-4-8-12-17/h3-13,19H,1-2H3
InChIKeyPYTUHOXYDQJXEZ-UHFFFAOYSA-N
XLogP4.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
2,5-dimethyl-3-phenylfuran
CID 598957
1-(5-methylfuran-2-yl)-2,2-diphenylethanone
CID 125472505
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987
5-methyl-3-phenylhex-4-en-2-one
CID 10559533
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
3-oxo-2-(3-phenylphenyl)butanoic acid
CID 139972260
methyl-(2-oxo-1-phenylpropyl)-phenylsulfanium
CID 58905968
1,1-bis(3-methylphenyl)propan-2-one;ethane
CID 145153760

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one?
The IUPAC name of 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one (CID 12592856) is 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one?
The canonical SMILES for 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one is CC(=O)C(c1ccccc1)c1oc(C)cc1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one?
The InChIKey is PYTUHOXYDQJXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-14-13-18(16-9-5-3-6-10-16)20(22-14)19(15(2)21)17-11-7-4-8-12-17/h3-13,19H,1-2H3.
What are the key properties of 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one?
1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one has a molecular weight of 290.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one is sourced from PubChem (CID 12592856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).