(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C20H16O3 — CID 10063606

IUPAC(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2
InChIInChI=1S/C20H16O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h1-14,18-19H/t18-,19-/m1/s1
InChIKeyVZKIYGGLHUVOMC-RTBURBONSA-N
MW304.35 g/mol
LogP3.91
Rot. Bonds2

About (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 10063606) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID10063606
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2
InChIInChI=1S/C20H16O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h1-14,18-19H/t18-,19-/m1/s1
InChIKeyVZKIYGGLHUVOMC-RTBURBONSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-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 (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 10063606) is (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is O=C1C=CC2(C=C1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2.
What is the InChIKey of (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is VZKIYGGLHUVOMC-RTBURBONSA-N. The full InChI is InChI=1S/C20H16O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h1-14,18-19H/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 304.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 10063606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).