(4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one

C20H22O4 — CID 53299570

IUPAC(4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one
SMILESO=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCc2ccccc21
InChIInChI=1S/C20H22O4/c21-17-12-6-10-14-7-4-5-11-16(14)20(23)24-19(13-18(17)22)15-8-2-1-3-9-15/h1-5,7-9,11,17-19,21-22H,6,10,12-13H2/t17-,18-,19-/m1/s1
InChIKeyJKJLRIZQKGLMPI-GUDVDZBRSA-N
MW326.39 g/mol
LogP3.03
Rot. Bonds1

About (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one

(4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one (PubChem CID 53299570) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one.

Molecular Properties

Compound Name(4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one
PubChem CID53299570
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one
SMILESO=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCc2ccccc21
InChIInChI=1S/C20H22O4/c21-17-12-6-10-14-7-4-5-11-16(14)20(23)24-19(13-18(17)22)15-8-2-1-3-9-15/h1-5,7-9,11,17-19,21-22H,6,10,12-13H2/t17-,18-,19-/m1/s1
InChIKeyJKJLRIZQKGLMPI-GUDVDZBRSA-N
XLogP3.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one?
The IUPAC name of (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one (CID 53299570) is (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one.
What is the SMILES notation for (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one?
The canonical SMILES for (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one is O=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCc2ccccc21.
What is the InChIKey of (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one?
The InChIKey is JKJLRIZQKGLMPI-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H22O4/c21-17-12-6-10-14-7-4-5-11-16(14)20(23)24-19(13-18(17)22)15-8-2-1-3-9-15/h1-5,7-9,11,17-19,21-22H,6,10,12-13H2/t17-,18-,19-/m1/s1.
What are the key properties of (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one?
(4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one has a molecular weight of 326.39 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7R)-6,7-dihydroxy-4-phenyl-3-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-one is sourced from PubChem (CID 53299570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).