7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid

C14H12O6 — CID 70674621

IUPAC7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid
SMILESC=C1C=C(C(=O)O)OC2Cc3c(O)cc(O)cc3OC12
InChIInChI=1S/C14H12O6/c1-6-2-12(14(17)18)19-11-5-8-9(16)3-7(15)4-10(8)20-13(6)11/h2-4,11,13,15-16H,1,5H2,(H,17,18)
InChIKeyBXYXWVCTYIQPAI-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.32
Rot. Bonds1

About 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid

7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid (PubChem CID 70674621) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid.

Molecular Properties

Compound Name7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid
PubChem CID70674621
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid
SMILESC=C1C=C(C(=O)O)OC2Cc3c(O)cc(O)cc3OC12
InChIInChI=1S/C14H12O6/c1-6-2-12(14(17)18)19-11-5-8-9(16)3-7(15)4-10(8)20-13(6)11/h2-4,11,13,15-16H,1,5H2,(H,17,18)
InChIKeyBXYXWVCTYIQPAI-UHFFFAOYSA-N
XLogP1.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-carboxy-2,6-dihydroxyphenolate;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 54725816
butanedioic acid;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 175541834
butanedioic acid;bis((2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol)
CID 175541831
3-[(2R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]-2-fluoro-4,5-dihydroxybenzoic acid
CID 175537255
actinium;(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 59086270
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 1203
[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 59086273
2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol
CID 123211205
benzene-1,3,5-triol;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 68742693
(2R,3R)-2-(2-fluoro-4,5-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 86271355
2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]ethyl hydrogen carbonate
CID 150197668
1-[(2S,3R)-5,7-dihydroxy-3-methyl-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulene-8-carboxylic acid
CID 58680559

Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid?
The IUPAC name of 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid (CID 70674621) is 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid.
What is the SMILES notation for 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid?
The canonical SMILES for 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid is C=C1C=C(C(=O)O)OC2Cc3c(O)cc(O)cc3OC12.
What is the InChIKey of 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid?
The InChIKey is BXYXWVCTYIQPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-6-2-12(14(17)18)19-11-5-8-9(16)3-7(15)4-10(8)20-13(6)11/h2-4,11,13,15-16H,1,5H2,(H,17,18).
What are the key properties of 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid?
7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid is sourced from PubChem (CID 70674621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).