11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one

C20H14O5 — CID 46232584

IUPAC11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one
SMILESO=c1c2c(O)cc(OCC3CO3)cc2oc2ccc3ccccc3c12
InChIInChI=1S/C20H14O5/c21-15-7-12(23-9-13-10-24-13)8-17-19(15)20(22)18-14-4-2-1-3-11(14)5-6-16(18)25-17/h1-8,13,21H,9-10H2
InChIKeyFWCIVFWSVCNBGB-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.58
Rot. Bonds3

About 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one

11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one (PubChem CID 46232584) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one.

Molecular Properties

Compound Name11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one
PubChem CID46232584
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one
SMILESO=c1c2c(O)cc(OCC3CO3)cc2oc2ccc3ccccc3c12
InChIInChI=1S/C20H14O5/c21-15-7-12(23-9-13-10-24-13)8-17-19(15)20(22)18-14-4-2-1-3-11(14)5-6-16(18)25-17/h1-8,13,21H,9-10H2
InChIKeyFWCIVFWSVCNBGB-UHFFFAOYSA-N
XLogP3.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one?
The IUPAC name of 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one (CID 46232584) is 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one.
What is the SMILES notation for 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one?
The canonical SMILES for 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one is O=c1c2c(O)cc(OCC3CO3)cc2oc2ccc3ccccc3c12.
What is the InChIKey of 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one?
The InChIKey is FWCIVFWSVCNBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c21-15-7-12(23-9-13-10-24-13)8-17-19(15)20(22)18-14-4-2-1-3-11(14)5-6-16(18)25-17/h1-8,13,21H,9-10H2.
What are the key properties of 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one?
11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one has a molecular weight of 334.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-9-(oxiran-2-ylmethoxy)benzo[a]xanthen-12-one is sourced from PubChem (CID 46232584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).