3,6,7-trihydroxy-2,5-diphenylchromen-4-one

C21H14O5 — CID 143758219

IUPAC3,6,7-trihydroxy-2,5-diphenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)c(-c3ccccc3)c12
InChIInChI=1S/C21H14O5/c22-14-11-15-17(16(18(14)23)12-7-3-1-4-8-12)19(24)20(25)21(26-15)13-9-5-2-6-10-13/h1-11,22-23,25H
InChIKeyRDUKYUTUIJUUMP-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.24
Rot. Bonds2

About 3,6,7-trihydroxy-2,5-diphenylchromen-4-one

3,6,7-trihydroxy-2,5-diphenylchromen-4-one (PubChem CID 143758219) has the molecular formula C21H14O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3,6,7-trihydroxy-2,5-diphenylchromen-4-one.

Molecular Properties

Compound Name3,6,7-trihydroxy-2,5-diphenylchromen-4-one
PubChem CID143758219
Molecular FormulaC21H14O5
Molecular Weight346.34 g/mol
Exact Mass346.08
IUPAC Name3,6,7-trihydroxy-2,5-diphenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)c(-c3ccccc3)c12
InChIInChI=1S/C21H14O5/c22-14-11-15-17(16(18(14)23)12-7-3-1-4-8-12)19(24)20(25)21(26-15)13-9-5-2-6-10-13/h1-11,22-23,25H
InChIKeyRDUKYUTUIJUUMP-UHFFFAOYSA-N
XLogP4.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
CID 19427220
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
CID 70417264
pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 174605613
3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528412
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trihydroxy-2,5-diphenylchromen-4-one?
The IUPAC name of 3,6,7-trihydroxy-2,5-diphenylchromen-4-one (CID 143758219) is 3,6,7-trihydroxy-2,5-diphenylchromen-4-one.
What is the SMILES notation for 3,6,7-trihydroxy-2,5-diphenylchromen-4-one?
The canonical SMILES for 3,6,7-trihydroxy-2,5-diphenylchromen-4-one is O=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)c(-c3ccccc3)c12.
What is the InChIKey of 3,6,7-trihydroxy-2,5-diphenylchromen-4-one?
The InChIKey is RDUKYUTUIJUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O5/c22-14-11-15-17(16(18(14)23)12-7-3-1-4-8-12)19(24)20(25)21(26-15)13-9-5-2-6-10-13/h1-11,22-23,25H.
What are the key properties of 3,6,7-trihydroxy-2,5-diphenylchromen-4-one?
3,6,7-trihydroxy-2,5-diphenylchromen-4-one has a molecular weight of 346.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trihydroxy-2,5-diphenylchromen-4-one is sourced from PubChem (CID 143758219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).