(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one

C8H8O3 — CID 11298065

IUPAC(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
SMILESO=C1C=C2C=C[C@H](O)C[C@@H]2O1
InChIInChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m0/s1
InChIKeyRAXNUTINVDSFEU-BQBZGAKWSA-N
MW152.15 g/mol
LogP0.16
Rot. Bonds

About (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one

(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one (PubChem CID 11298065) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one.

Molecular Properties

Compound Name(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
PubChem CID11298065
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
SMILESO=C1C=C2C=C[C@H](O)C[C@@H]2O1
InChIInChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m0/s1
InChIKeyRAXNUTINVDSFEU-BQBZGAKWSA-N
XLogP0.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The IUPAC name of (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one (CID 11298065) is (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one.
What is the SMILES notation for (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The canonical SMILES for (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one is O=C1C=C2C=C[C@H](O)C[C@@H]2O1.
What is the InChIKey of (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The InChIKey is RAXNUTINVDSFEU-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m0/s1.
What are the key properties of (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one has a molecular weight of 152.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one is sourced from PubChem (CID 11298065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).