(5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione

C16H14O4 — CID 139180549

IUPAC(5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione
SMILESO=C1C=C2C[C@](O)(CCc3ccccc3)C(=O)C=C2O1
InChIInChI=1S/C16H14O4/c17-14-9-13-12(8-15(18)20-13)10-16(14,19)7-6-11-4-2-1-3-5-11/h1-5,8-9,19H,6-7,10H2/t16-/m1/s1
InChIKeyHGWZPGCBERUKPP-MRXNPFEDSA-N
MW270.28 g/mol
LogP1.69
Rot. Bonds3

About (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione

(5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione (PubChem CID 139180549) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione.

Molecular Properties

Compound Name(5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione
PubChem CID139180549
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione
SMILESO=C1C=C2C[C@](O)(CCc3ccccc3)C(=O)C=C2O1
InChIInChI=1S/C16H14O4/c17-14-9-13-12(8-15(18)20-13)10-16(14,19)7-6-11-4-2-1-3-5-11/h1-5,8-9,19H,6-7,10H2/t16-/m1/s1
InChIKeyHGWZPGCBERUKPP-MRXNPFEDSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione?
The IUPAC name of (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione (CID 139180549) is (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione.
What is the SMILES notation for (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione?
The canonical SMILES for (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione is O=C1C=C2C[C@](O)(CCc3ccccc3)C(=O)C=C2O1.
What is the InChIKey of (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione?
The InChIKey is HGWZPGCBERUKPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14O4/c17-14-9-13-12(8-15(18)20-13)10-16(14,19)7-6-11-4-2-1-3-5-11/h1-5,8-9,19H,6-7,10H2/t16-/m1/s1.
What are the key properties of (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione?
(5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione has a molecular weight of 270.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-5-(2-phenylethyl)-4H-1-benzofuran-2,6-dione is sourced from PubChem (CID 139180549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).