2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid

C11H10O6 — CID 146197616

IUPAC2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid
SMILESO=C(O)CC1Cc2c(O)cc(O)cc2OC1=O
InChIInChI=1S/C11H10O6/c12-6-3-8(13)7-1-5(2-10(14)15)11(16)17-9(7)4-6/h3-5,12-13H,1-2H2,(H,14,15)
InChIKeyOOFUYIKQLZTLMH-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.65
Rot. Bonds2

About 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid

2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid (PubChem CID 146197616) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid
PubChem CID146197616
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid
SMILESO=C(O)CC1Cc2c(O)cc(O)cc2OC1=O
InChIInChI=1S/C11H10O6/c12-6-3-8(13)7-1-5(2-10(14)15)11(16)17-9(7)4-6/h3-5,12-13H,1-2H2,(H,14,15)
InChIKeyOOFUYIKQLZTLMH-UHFFFAOYSA-N
XLogP0.65
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
5-[(3R)-3,5,7-trihydroxy-3,4-dihydrochromen-2-ylidene]cyclohexane-1,2,3-trione
CID 91070591
6,8-dihydroxy-3-methyl-3,9-dihydro-2H-cyclopenta[b]chromen-1-one
CID 102199129
3-ethyl-6-hydroxy-3,4-dihydrochromen-2-one
CID 130032866
7,9-dihydroxy-4-methylidene-10,10a-dihydro-4aH-pyrano[3,2-b]chromene-2-carboxylic acid
CID 70674621
2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid
CID 24814100
2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid
CID 74323771
2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]ethyl hydrogen carbonate
CID 150197668
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromene-2-carbaldehyde
CID 91468798
4-carboxy-2,6-dihydroxyphenolate;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 54725816
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 1203

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid?
The IUPAC name of 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid (CID 146197616) is 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid?
The canonical SMILES for 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid is O=C(O)CC1Cc2c(O)cc(O)cc2OC1=O.
What is the InChIKey of 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid?
The InChIKey is OOFUYIKQLZTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c12-6-3-8(13)7-1-5(2-10(14)15)11(16)17-9(7)4-6/h3-5,12-13H,1-2H2,(H,14,15).
What are the key properties of 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid?
2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid has a molecular weight of 238.19 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydroxy-2-oxo-3,4-dihydrochromen-3-yl)acetic acid is sourced from PubChem (CID 146197616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).