1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone

C19H18O2 — CID 11403189

IUPAC1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H18O2/c1-14(20)18-13-19(21-15(18)2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3
InChIKeyNOTXIAVTENLNDZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone

1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone (PubChem CID 11403189) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone
PubChem CID11403189
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H18O2/c1-14(20)18-13-19(21-15(18)2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3
InChIKeyNOTXIAVTENLNDZ-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Beta-Lapachone
CID 3885
2,6-Diphenyl-4H-pyran-4-one
CID 283227
Mls002638215
CID 223673
3-(2-methylbenzylidene)-2-benzofuran-1(3H)-one
CID 678304
Nor-Beta-Lapachone
CID 5249188
2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione
CID 15743025
2-Ethyl-2-methyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 10445129
2-methyl-2-phenyl-3,4-dihydro-2H-benzo(h)chromene-5,6-dione
CID 11722562
4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
CID 54691100
1H-Inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-
CID 845934
(5R)-5-(4-fluorophenyl)-3-[3-(methoxymethyl)phenyl]cyclohex-2-en-1-one
CID 44144025
2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one
CID 54691000

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone (CID 11403189) is 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone is CC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone?
The InChIKey is NOTXIAVTENLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14(20)18-13-19(21-15(18)2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3.
What are the key properties of 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone?
1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,2-diphenyl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 11403189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).