7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol

C19H16O4 — CID 641378

IUPAC7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol
SMILESCC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1
InChIInChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3
InChIKeyCHAAQDMHLLQJRO-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.70
Rot. Bonds1

About 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol

7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol (PubChem CID 641378) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol.

Molecular Properties

Compound Name7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol
PubChem CID641378
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol
SMILESCC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1
InChIInChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3
InChIKeyCHAAQDMHLLQJRO-UHFFFAOYSA-N
XLogP4.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol 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 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol?
The IUPAC name of 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol (CID 641378) is 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol.
What is the SMILES notation for 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol?
The canonical SMILES for 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol is CC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1.
What is the InChIKey of 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol?
The InChIKey is CHAAQDMHLLQJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3.
What are the key properties of 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol?
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol has a molecular weight of 308.33 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol is sourced from PubChem (CID 641378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).