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

C8H8O3 — CID 639165

IUPAC(6R,7aR)-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-NKWVEPMBSA-N
MW152.15 g/mol
LogP0.16
Rot. Bonds

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

(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one (PubChem CID 639165) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one.

Molecular Properties

Compound Name(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
PubChem CID639165
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(6R,7aR)-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-NKWVEPMBSA-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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Related Compounds

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CID 100341
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Npc161706
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(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
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Aquilegiolide
CID 185347
Euscapholide
CID 100956117
Cikruxxvsdqfhd-uhfffaoysa-
CID 10631260
6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
CID 324687
Pyrenocine C
CID 6439921
(6S,7R,7aR)-6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
CID 124356406
3-(1-hydroxyethyl)-4-[(1E,3E)-penta-1,3-dienyl]-2H-uran-5-one
CID 163039642

Frequently Asked Questions

What is the IUPAC name of (6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The IUPAC name of (6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one (CID 639165) is (6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one.
What is the SMILES notation for (6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The canonical SMILES for (6R,7aR)-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,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The InChIKey is RAXNUTINVDSFEU-NKWVEPMBSA-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,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one?
(6R,7aR)-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,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one is sourced from PubChem (CID 639165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).