(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione

C16H16O6 — CID 11208908

IUPAC(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione
SMILESCOc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)[C@@H](C)O1
InChIInChI=1S/C16H16O6/c1-6-16(2,3)10-11(18)7-5-8(17)14(21-4)12(19)9(7)13(20)15(10)22-6/h5-6,17,19H,1-4H3/t6-/m1/s1
InChIKeyNMWOPEGXVGPYLC-ZCFIWIBFSA-N
MW304.30 g/mol
LogP2.18
Rot. Bonds1

About (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione

(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione (PubChem CID 11208908) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione
PubChem CID11208908
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione
SMILESCOc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)[C@@H](C)O1
InChIInChI=1S/C16H16O6/c1-6-16(2,3)10-11(18)7-5-8(17)14(21-4)12(19)9(7)13(20)15(10)22-6/h5-6,17,19H,1-4H3/t6-/m1/s1
InChIKeyNMWOPEGXVGPYLC-ZCFIWIBFSA-N
XLogP2.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione with MolForge

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Launch Full Analysis

Related Compounds

(2S)-6-hydroxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione
CID 52914008
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
8-hydroxy-2-(iodomethyl)-3,3-dimethyl-2H-benzo[f][1]benzofuran-4,9-dione
CID 46885664
(2S,3S,4S,4aR,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
CID 162913795
(4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
CID 16758047
(2R,3R,4R,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
CID 92843974
3,8-dihydroxy-2,6-dimethoxy-1-methylanthracene-9,10-dione
CID 163064188
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
2-(5,7-dihydroxy-6-methoxy-3-methyl-4,9-dioxobenzo[f]isoindol-2-yl)benzamide
CID 139589415
1,3,5,6-tetrahydroxy-2-(methoxymethoxy)anthracene-9,10-dione
CID 102138995
(3S,4R)-6,8-dihydroxy-7-methoxy-3-methyl-4-(2-methyl-6-oxopyran-4-yl)oxy-3,4-dihydroisochromen-1-one
CID 38362257
7-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
CID 163116437

Frequently Asked Questions

What is the IUPAC name of (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione (CID 11208908) is (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione is COc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)[C@@H](C)O1.
What is the InChIKey of (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione?
The InChIKey is NMWOPEGXVGPYLC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C16H16O6/c1-6-16(2,3)10-11(18)7-5-8(17)14(21-4)12(19)9(7)13(20)15(10)22-6/h5-6,17,19H,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione?
(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione has a molecular weight of 304.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 11208908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).