formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)

C31H22O11 — CID 175123321

IUPACformaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
SMILESC=O.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/2C15H10O5.CH2O/c2*16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;1-2/h2*1-7,17-19H;1H2
InChIKeyNYVKGMNTIFPSDI-UHFFFAOYSA-N
MW570.51 g/mol
LogP4.97
Rot. Bonds2

About formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)

formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one) (PubChem CID 175123321) has the molecular formula C31H22O11 and a molecular weight of 570.51 g/mol. Its IUPAC name is formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one).

Molecular Properties

Compound Nameformaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
PubChem CID175123321
Molecular FormulaC31H22O11
Molecular Weight570.51 g/mol
Exact Mass570.12
IUPAC Nameformaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
SMILESC=O.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/2C15H10O5.CH2O/c2*16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;1-2/h2*1-7,17-19H;1H2
InChIKeyNYVKGMNTIFPSDI-UHFFFAOYSA-N
XLogP4.97
TPSA198.87 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500570.51
LogP ≤ 54.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
CID 172853606
CID 172853606
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,6,7-trihydroxy-2-phenylchromen-4-one;1,3,7-trimethylpurine-2,6-dione
CID 129098991
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)?
The IUPAC name of formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one) (CID 175123321) is formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one).
What is the SMILES notation for formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)?
The canonical SMILES for formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one) is C=O.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.
What is the InChIKey of formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)?
The InChIKey is NYVKGMNTIFPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10O5.CH2O/c2*16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;1-2/h2*1-7,17-19H;1H2.
What are the key properties of formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)?
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one) has a molecular weight of 570.51 g/mol, XLogP of 4.97, 2 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one) is sourced from PubChem (CID 175123321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).