(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione

C14H12O5 — CID 163062968

IUPAC(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)C1=O
InChIInChI=1S/C14H12O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,16H,1-2H3/t11-/m1/s1
InChIKeyMCWPEMKMGFSTFE-LLVKDONJSA-N
MW260.25 g/mol
LogP1.57
Rot. Bonds

About (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione

(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione (PubChem CID 163062968) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione.

Molecular Properties

Compound Name(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
PubChem CID163062968
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)C1=O
InChIInChI=1S/C14H12O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,16H,1-2H3/t11-/m1/s1
InChIKeyMCWPEMKMGFSTFE-LLVKDONJSA-N
XLogP1.57
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione with MolForge

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Related Compounds

(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
CID 7108015
(9R,10R)-9,10-dimethoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
CID 59973745
[(9S,10S)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbut-2-enoate
CID 162923280
(10Z)-10-(hydroxymethylidene)-8,8-dimethylpyrano[2,3-f]chromene-2,9-dione
CID 2909986
[(9R,10S)-8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate
CID 1119130
10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
CID 23621215
[(9R,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (2S)-2-methylbutanoate
CID 162978729
(9E)-9-hydroxyimino-8,8-dimethyl-10H-pyrano[2,3-h]chromen-2-one
CID 5332563
(9Z)-9-hydroxyimino-8,8-dimethyl-10H-pyrano[2,3-h]chromen-2-one
CID 5401732
[8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
CID 154831639
[(9S,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbut-2-enoate
CID 162971142
[(9S,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
CID 38347612

Frequently Asked Questions

What is the IUPAC name of (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
The IUPAC name of (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione (CID 163062968) is (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione.
What is the SMILES notation for (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
The canonical SMILES for (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione is CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)C1=O.
What is the InChIKey of (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
The InChIKey is MCWPEMKMGFSTFE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,16H,1-2H3/t11-/m1/s1.
What are the key properties of (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione has a molecular weight of 260.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione is sourced from PubChem (CID 163062968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).