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

C24H22O4 — CID 11280265

IUPAC(2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1OC(=O)C(Cc2ccccc2)=C1C1=C(Cc2ccccc2)C(=O)O[C@@H]1C
InChIInChI=1S/C24H22O4/c1-15-21(19(23(25)27-15)13-17-9-5-3-6-10-17)22-16(2)28-24(26)20(22)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyIBFICHMWQALYSN-HZPDHXFCSA-N
MW374.44 g/mol
LogP3.96
Rot. Bonds5

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

(2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one (PubChem CID 11280265) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one
PubChem CID11280265
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1OC(=O)C(Cc2ccccc2)=C1C1=C(Cc2ccccc2)C(=O)O[C@@H]1C
InChIInChI=1S/C24H22O4/c1-15-21(19(23(25)27-15)13-17-9-5-3-6-10-17)22-16(2)28-24(26)20(22)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyIBFICHMWQALYSN-HZPDHXFCSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
CID 13439272
4-benzyl-2-butyl-3-iodo-2H-furan-5-one
CID 11667562
(4aS,8aS)-3-benzyl-4-methoxy-4a,8a-dihydrochromen-2-one
CID 767354
2-benzoyl-5-benzyl-4-methyl-2,3-dihydro-1,3-oxazin-6-one
CID 14119550
3-benzyl-6-methyl-1,4-dioxane-2,5-dione
CID 23504963
3-benzyl-4-(bromomethyl)furan-2,5-dione
CID 11254515
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
(1S,4R,4aS,7aS)-1-benzyl-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 11402290
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
2-hydroxy-3,4-bis(phenylmethoxymethyl)-2H-furan-5-one
CID 11416517

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one (CID 11280265) is (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one is C[C@H]1OC(=O)C(Cc2ccccc2)=C1C1=C(Cc2ccccc2)C(=O)O[C@@H]1C.
What is the InChIKey of (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one?
The InChIKey is IBFICHMWQALYSN-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H22O4/c1-15-21(19(23(25)27-15)13-17-9-5-3-6-10-17)22-16(2)28-24(26)20(22)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one?
(2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-3-[(2R)-4-benzyl-2-methyl-5-oxo-2H-furan-3-yl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11280265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).