5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one

C22H16O5 — CID 15108702

IUPAC5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(O)c(O)c12
InChIInChI=1S/C22H16O5/c23-16-11-17(15-9-5-2-6-10-15)27-18-12-19(21(24)22(25)20(16)18)26-13-14-7-3-1-4-8-14/h1-12,24-25H,13H2
InChIKeyNCLZLANNNNTMLM-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.45
Rot. Bonds4

About 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one

5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one (PubChem CID 15108702) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
PubChem CID15108702
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(O)c(O)c12
InChIInChI=1S/C22H16O5/c23-16-11-17(15-9-5-2-6-10-15)27-18-12-19(21(24)22(25)20(16)18)26-13-14-7-3-1-4-8-14/h1-12,24-25H,13H2
InChIKeyNCLZLANNNNTMLM-UHFFFAOYSA-N
XLogP4.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
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

6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
CID 66878364
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
CID 56649004
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
7-hexoxy-2-phenyl-5,6-bis(phenylmethoxy)chromen-4-one
CID 56649089
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one?
The IUPAC name of 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one (CID 15108702) is 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(O)c(O)c12.
What is the InChIKey of 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one?
The InChIKey is NCLZLANNNNTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O5/c23-16-11-17(15-9-5-2-6-10-15)27-18-12-19(21(24)22(25)20(16)18)26-13-14-7-3-1-4-8-14/h1-12,24-25H,13H2.
What are the key properties of 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one?
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one has a molecular weight of 360.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 15108702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).