3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one

C20H16O4 — CID 5316097

IUPAC3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one
SMILESCC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1
InChIInChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
InChIKeyPWAACAMQKVIVPZ-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.35
Rot. Bonds1

About 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one

3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one (PubChem CID 5316097) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one
PubChem CID5316097
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one
SMILESCC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1
InChIInChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
InChIKeyPWAACAMQKVIVPZ-UHFFFAOYSA-N
XLogP4.35
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-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 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one (CID 5316097) is 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one is CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1.
What is the InChIKey of 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one?
The InChIKey is PWAACAMQKVIVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3.
What are the key properties of 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one?
3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one has a molecular weight of 320.34 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one is sourced from PubChem (CID 5316097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).