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

C19H16O4 — CID 5319888

IUPAC5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol
SMILESCC1(C)C=Cc2c(cc(O)cc2-c2cc3ccc(O)cc3o2)O1
InChIInChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3
InChIKeyGDSYWTBPYYYLLE-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.70
Rot. Bonds1

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

5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol (PubChem CID 5319888) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol.

Molecular Properties

Compound Name5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol
PubChem CID5319888
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol
SMILESCC1(C)C=Cc2c(cc(O)cc2-c2cc3ccc(O)cc3o2)O1
InChIInChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3
InChIKeyGDSYWTBPYYYLLE-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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol?
The IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol (CID 5319888) is 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol.
What is the SMILES notation for 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol?
The canonical SMILES for 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol is CC1(C)C=Cc2c(cc(O)cc2-c2cc3ccc(O)cc3o2)O1.
What is the InChIKey of 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol?
The InChIKey is GDSYWTBPYYYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3.
What are the key properties of 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol?
5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-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 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol is sourced from PubChem (CID 5319888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).