(4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one

C9H10O4 — CID 130804907

IUPAC(4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one
SMILESCO[C@@H]1C=C2OC(=O)C=C2[C@H](O)C1
InChIInChI=1S/C9H10O4/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h3-5,7,10H,2H2,1H3/t5-,7+/m0/s1
InChIKeyXORHEOQXKLNRPJ-CAHLUQPWSA-N
MW182.17 g/mol
LogP0.13
Rot. Bonds1

About (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one

(4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one (PubChem CID 130804907) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one
PubChem CID130804907
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name(4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one
SMILESCO[C@@H]1C=C2OC(=O)C=C2[C@H](O)C1
InChIInChI=1S/C9H10O4/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h3-5,7,10H,2H2,1H3/t5-,7+/m0/s1
InChIKeyXORHEOQXKLNRPJ-CAHLUQPWSA-N
XLogP0.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one (CID 130804907) is (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one is CO[C@@H]1C=C2OC(=O)C=C2[C@H](O)C1.
What is the InChIKey of (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one?
The InChIKey is XORHEOQXKLNRPJ-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h3-5,7,10H,2H2,1H3/t5-,7+/m0/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one?
(4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one has a molecular weight of 182.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-hydroxy-6-methoxy-5,6-dihydro-4H-1-benzofuran-2-one is sourced from PubChem (CID 130804907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).