4-phenyl-2-propan-2-yl-2H-furan-5-one

C13H14O2 — CID 10703288

IUPAC4-phenyl-2-propan-2-yl-2H-furan-5-one
SMILESCC(C)C1C=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C13H14O2/c1-9(2)12-8-11(13(14)15-12)10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChIKeyDXBSOLMMFICNLC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.65
Rot. Bonds2

About 4-phenyl-2-propan-2-yl-2H-furan-5-one

4-phenyl-2-propan-2-yl-2H-furan-5-one (PubChem CID 10703288) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-2H-furan-5-one
PubChem CID10703288
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-phenyl-2-propan-2-yl-2H-furan-5-one
SMILESCC(C)C1C=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C13H14O2/c1-9(2)12-8-11(13(14)15-12)10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChIKeyDXBSOLMMFICNLC-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one
CID 102462327
(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one
CID 164513807
4-(4-chlorophenyl)-2-methyl-2H-furan-5-one
CID 506537
(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one
CID 134943158
4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one
CID 506547
(2R)-4-(4-fluorophenyl)-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 164513794
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
2-propan-2-yl-2H-1,4-benzoxazine
CID 91262938
2-(1,2-dihydroxypropyl)-4-hydroxy-3-phenyl-2H-furan-5-one
CID 102498768
4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
CID 22173366
4-phenylfuran-2,3-dione
CID 71444007
2-methyl-1,4-diphenyl-2H-pyrrol-5-one
CID 174901051

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-2H-furan-5-one?
The IUPAC name of 4-phenyl-2-propan-2-yl-2H-furan-5-one (CID 10703288) is 4-phenyl-2-propan-2-yl-2H-furan-5-one.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-2H-furan-5-one?
The canonical SMILES for 4-phenyl-2-propan-2-yl-2H-furan-5-one is CC(C)C1C=C(c2ccccc2)C(=O)O1.
What is the InChIKey of 4-phenyl-2-propan-2-yl-2H-furan-5-one?
The InChIKey is DXBSOLMMFICNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9(2)12-8-11(13(14)15-12)10-6-4-3-5-7-10/h3-9,12H,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-2H-furan-5-one?
4-phenyl-2-propan-2-yl-2H-furan-5-one has a molecular weight of 202.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yl-2H-furan-5-one is sourced from PubChem (CID 10703288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).