(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one

C18H16O4 — CID 11680925

IUPAC(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one
SMILESCO[C@@H]1OC(=O)C(c2ccccc2)=C1C(O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-21-18-15(16(19)13-10-6-3-7-11-13)14(17(20)22-18)12-8-4-2-5-9-12/h2-11,16,18-19H,1H3/t16?,18-/m1/s1
InChIKeyMNJDDTIBFQZPQZ-UHUGOGIASA-N
MW296.32 g/mol
LogP2.70
Rot. Bonds4

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

(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one (PubChem CID 11680925) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one
PubChem CID11680925
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one
SMILESCO[C@@H]1OC(=O)C(c2ccccc2)=C1C(O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-21-18-15(16(19)13-10-6-3-7-11-13)14(17(20)22-18)12-8-4-2-5-9-12/h2-11,16,18-19H,1H3/t16?,18-/m1/s1
InChIKeyMNJDDTIBFQZPQZ-UHUGOGIASA-N
XLogP2.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one?
The IUPAC name of (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one (CID 11680925) is (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one is CO[C@@H]1OC(=O)C(c2ccccc2)=C1C(O)c1ccccc1.
What is the InChIKey of (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one?
The InChIKey is MNJDDTIBFQZPQZ-UHUGOGIASA-N. The full InChI is InChI=1S/C18H16O4/c1-21-18-15(16(19)13-10-6-3-7-11-13)14(17(20)22-18)12-8-4-2-5-9-12/h2-11,16,18-19H,1H3/t16?,18-/m1/s1.
What are the key properties of (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one?
(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one has a molecular weight of 296.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 11680925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).