(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one

C22H18O4 — CID 102397882

IUPAC(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
SMILESCC1=C(C2=C(C)C(=O)O[C@@H]2c2ccccc2)[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C22H18O4/c1-13-17(19(25-21(13)23)15-9-5-3-6-10-15)18-14(2)22(24)26-20(18)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3/t19-,20-/m1/s1
InChIKeyZPJJPEZGMQLNOB-WOJBJXKFSA-N
MW346.38 g/mol
LogP4.22
Rot. Bonds3

About (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one

(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one (PubChem CID 102397882) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
PubChem CID102397882
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
SMILESCC1=C(C2=C(C)C(=O)O[C@@H]2c2ccccc2)[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C22H18O4/c1-13-17(19(25-21(13)23)15-9-5-3-6-10-15)18-14(2)22(24)26-20(18)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3/t19-,20-/m1/s1
InChIKeyZPJJPEZGMQLNOB-WOJBJXKFSA-N
XLogP4.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 141356262
4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one
CID 14004446
3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 5250336
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
CID 44605460
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
CID 70977330
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
CID 71437125
2-methyl-5-phenyl-1,3-dioxolan-4-one
CID 18730132

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one?
The IUPAC name of (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one (CID 102397882) is (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one is CC1=C(C2=C(C)C(=O)O[C@@H]2c2ccccc2)[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one?
The InChIKey is ZPJJPEZGMQLNOB-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H18O4/c1-13-17(19(25-21(13)23)15-9-5-3-6-10-15)18-14(2)22(24)26-20(18)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3/t19-,20-/m1/s1.
What are the key properties of (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one?
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one has a molecular weight of 346.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one is sourced from PubChem (CID 102397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).