2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one

C23H24O4 — CID 46904949

IUPAC2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
SMILESCC1(C)OC(=O)C2=C(CC(c3ccccc3)OC2CCc2ccccc2)O1
InChIInChI=1S/C23H24O4/c1-23(2)26-20-15-19(17-11-7-4-8-12-17)25-18(21(20)22(24)27-23)14-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3
InChIKeyFUGBLUHWHLQXMH-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.71
Rot. Bonds4

About 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one

2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one (PubChem CID 46904949) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
PubChem CID46904949
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
SMILESCC1(C)OC(=O)C2=C(CC(c3ccccc3)OC2CCc2ccccc2)O1
InChIInChI=1S/C23H24O4/c1-23(2)26-20-15-19(17-11-7-4-8-12-17)25-18(21(20)22(24)27-23)14-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3
InChIKeyFUGBLUHWHLQXMH-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-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 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one?
The IUPAC name of 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one (CID 46904949) is 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one.
What is the SMILES notation for 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one?
The canonical SMILES for 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one is CC1(C)OC(=O)C2=C(CC(c3ccccc3)OC2CCc2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one?
The InChIKey is FUGBLUHWHLQXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-23(2)26-20-15-19(17-11-7-4-8-12-17)25-18(21(20)22(24)27-23)14-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3.
What are the key properties of 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one?
2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one has a molecular weight of 364.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one is sourced from PubChem (CID 46904949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).