(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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Related Compounds

(4S)-4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
CID 7059600
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
CID 21192277
acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
CID 175426280
(4aS,5R,6aS,7R,11aR,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-2,3,4a,5,6,6a,7,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
CID 164622416
(3R)-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
CID 95224942
[(3R,3aS,5R,6S,6aS)-5,6-dihydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl] acetate
CID 100977147
6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one
CID 162821559
[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
CID 154792773
(8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl) acetate
CID 85296271
[(5S,6S,8S,9Z)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
CID 163189635
3,4-dihydroxy-6-methoxy-2-methylcyclohex-2-en-1-one
CID 130036863
4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 118519228

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).