(4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one

C19H26O5 — CID 10404651

IUPAC(4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one
SMILESCc1c(C)c2c(c(CC[C@@H]3C[C@@H](O)CC(=O)O3)c1O)CC(C)(C)O2
InChIInChI=1S/C19H26O5/c1-10-11(2)18-15(9-19(3,4)24-18)14(17(10)22)6-5-13-7-12(20)8-16(21)23-13/h12-13,20,22H,5-9H2,1-4H3/t12-,13-/m1/s1
InChIKeyYKCMAXCBTFKHFX-CHWSQXEVSA-N
MW334.41 g/mol
LogP2.72
Rot. Bonds3

About (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one

(4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one (PubChem CID 10404651) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one
PubChem CID10404651
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one
SMILESCc1c(C)c2c(c(CC[C@@H]3C[C@@H](O)CC(=O)O3)c1O)CC(C)(C)O2
InChIInChI=1S/C19H26O5/c1-10-11(2)18-15(9-19(3,4)24-18)14(17(10)22)6-5-13-7-12(20)8-16(21)23-13/h12-13,20,22H,5-9H2,1-4H3/t12-,13-/m1/s1
InChIKeyYKCMAXCBTFKHFX-CHWSQXEVSA-N
XLogP2.72
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-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 (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one?
The IUPAC name of (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one (CID 10404651) is (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one.
What is the SMILES notation for (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one?
The canonical SMILES for (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one is Cc1c(C)c2c(c(CC[C@@H]3C[C@@H](O)CC(=O)O3)c1O)CC(C)(C)O2.
What is the InChIKey of (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one?
The InChIKey is YKCMAXCBTFKHFX-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H26O5/c1-10-11(2)18-15(9-19(3,4)24-18)14(17(10)22)6-5-13-7-12(20)8-16(21)23-13/h12-13,20,22H,5-9H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one?
(4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one has a molecular weight of 334.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-hydroxy-6-[2-(5-hydroxy-2,2,6,7-tetramethyl-3H-1-benzofuran-4-yl)ethyl]oxan-2-one is sourced from PubChem (CID 10404651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).