[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium

C15H13O6+ — CID 59574961

IUPAC[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium
SMILES[H]/[O+]=C1/c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O
InChIInChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/p+1
InChIKeyPADQINQHPQKXNL-UHFFFAOYSA-O
MW289.26 g/mol
LogP1.19
Rot. Bonds1

About [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium

[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium (PubChem CID 59574961) has the molecular formula C15H13O6+ and a molecular weight of 289.26 g/mol. Its IUPAC name is [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium.

Molecular Properties

Compound Name[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium
PubChem CID59574961
Molecular FormulaC15H13O6+
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium
SMILES[H]/[O+]=C1/c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O
InChIInChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/p+1
InChIKeyPADQINQHPQKXNL-UHFFFAOYSA-O
XLogP1.19
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-iodo-2,3-dihydrochromen-4-one
CID 91075614
(2R,3R)-8-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 142844762
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
(2S,3R)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162900254
(2R,3S)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 11369709
(2R)-2-(4-hydroxyphenyl)-2H-chromene-3,4,5,7-tetrol
CID 132527547
(2S,3R)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 124870899
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14861264
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 71307292
(2S,3S)-2-[3-[2,3-dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-4,5-dihydroxyphenyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 162922180
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932

Frequently Asked Questions

What is the IUPAC name of [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium?
The IUPAC name of [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium (CID 59574961) is [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium.
What is the SMILES notation for [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium?
The canonical SMILES for [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium is [H]/[O+]=C1/c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O.
What is the InChIKey of [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium?
The InChIKey is PADQINQHPQKXNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/p+1.
What are the key properties of [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium?
[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium has a molecular weight of 289.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-ylidene]oxidanium is sourced from PubChem (CID 59574961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).