(4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one

C19H16O4 — CID 71454541

IUPAC(4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESCC1(O)C[C@H](c2ccccc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C19H16O4/c1-19(21)11-14(12-7-3-2-4-8-12)16-17(23-19)13-9-5-6-10-15(13)22-18(16)20/h2-10,14,21H,11H2,1H3/t14-,19?/m1/s1
InChIKeyLSCYDZJASSKSMJ-MJTSIZKDSA-N
MW308.33 g/mol
LogP3.42
Rot. Bonds1

About (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one

(4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one (PubChem CID 71454541) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name(4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
PubChem CID71454541
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESCC1(O)C[C@H](c2ccccc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C19H16O4/c1-19(21)11-14(12-7-3-2-4-8-12)16-17(23-19)13-9-5-6-10-15(13)22-18(16)20/h2-10,14,21H,11H2,1H3/t14-,19?/m1/s1
InChIKeyLSCYDZJASSKSMJ-MJTSIZKDSA-N
XLogP3.42
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The IUPAC name of (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one (CID 71454541) is (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one.
What is the SMILES notation for (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The canonical SMILES for (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one is CC1(O)C[C@H](c2ccccc2)c2c(c3ccccc3oc2=O)O1.
What is the InChIKey of (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The InChIKey is LSCYDZJASSKSMJ-MJTSIZKDSA-N. The full InChI is InChI=1S/C19H16O4/c1-19(21)11-14(12-7-3-2-4-8-12)16-17(23-19)13-9-5-6-10-15(13)22-18(16)20/h2-10,14,21H,11H2,1H3/t14-,19?/m1/s1.
What are the key properties of (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
(4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one has a molecular weight of 308.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hydroxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 71454541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).