2,3-bis(4-hydroxyphenyl)xanthen-9-one

C25H16O4 — CID 52942637

IUPAC2,3-bis(4-hydroxyphenyl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C25H16O4/c26-17-9-5-15(6-10-17)20-13-22-24(14-21(20)16-7-11-18(27)12-8-16)29-23-4-2-1-3-19(23)25(22)28/h1-14,26-27H
InChIKeyUAZPKVGRYLIMBQ-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.69
Rot. Bonds2

About 2,3-bis(4-hydroxyphenyl)xanthen-9-one

2,3-bis(4-hydroxyphenyl)xanthen-9-one (PubChem CID 52942637) has the molecular formula C25H16O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2,3-bis(4-hydroxyphenyl)xanthen-9-one.

Molecular Properties

Compound Name2,3-bis(4-hydroxyphenyl)xanthen-9-one
PubChem CID52942637
Molecular FormulaC25H16O4
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2,3-bis(4-hydroxyphenyl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C25H16O4/c26-17-9-5-15(6-10-17)20-13-22-24(14-21(20)16-7-11-18(27)12-8-16)29-23-4-2-1-3-19(23)25(22)28/h1-14,26-27H
InChIKeyUAZPKVGRYLIMBQ-UHFFFAOYSA-N
XLogP5.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hydroxyphenyl)xanthen-9-one?
The IUPAC name of 2,3-bis(4-hydroxyphenyl)xanthen-9-one (CID 52942637) is 2,3-bis(4-hydroxyphenyl)xanthen-9-one.
What is the SMILES notation for 2,3-bis(4-hydroxyphenyl)xanthen-9-one?
The canonical SMILES for 2,3-bis(4-hydroxyphenyl)xanthen-9-one is O=c1c2ccccc2oc2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc12.
What is the InChIKey of 2,3-bis(4-hydroxyphenyl)xanthen-9-one?
The InChIKey is UAZPKVGRYLIMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O4/c26-17-9-5-15(6-10-17)20-13-22-24(14-21(20)16-7-11-18(27)12-8-16)29-23-4-2-1-3-19(23)25(22)28/h1-14,26-27H.
What are the key properties of 2,3-bis(4-hydroxyphenyl)xanthen-9-one?
2,3-bis(4-hydroxyphenyl)xanthen-9-one has a molecular weight of 380.40 g/mol, XLogP of 5.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hydroxyphenyl)xanthen-9-one is sourced from PubChem (CID 52942637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).