8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one

C20H14O5 — CID 46232585

IUPAC8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one
SMILESO=c1c2ccc3ccccc3c2oc2cc(OCC3CO3)cc(O)c12
InChIInChI=1S/C20H14O5/c21-16-7-12(23-9-13-10-24-13)8-17-18(16)19(22)15-6-5-11-3-1-2-4-14(11)20(15)25-17/h1-8,13,21H,9-10H2
InChIKeyIMGIRVFTUXJYOO-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.58
Rot. Bonds3

About 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one

8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one (PubChem CID 46232585) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one.

Molecular Properties

Compound Name8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one
PubChem CID46232585
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one
SMILESO=c1c2ccc3ccccc3c2oc2cc(OCC3CO3)cc(O)c12
InChIInChI=1S/C20H14O5/c21-16-7-12(23-9-13-10-24-13)8-17-18(16)19(22)15-6-5-11-3-1-2-4-14(11)20(15)25-17/h1-8,13,21H,9-10H2
InChIKeyIMGIRVFTUXJYOO-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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Related Compounds

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CID 72281
Naringenin
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Puerarin
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Amentoflavone
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(+)-Eriodictyol
CID 440735
Liquiritigenin
CID 114829
(+)-Pinocembrin
CID 68071
(+-)-Naringenin
CID 932
Physcion
CID 10639
Vitexin
CID 5280441
Isovitexin
CID 162350
Sophoraflavanone B
CID 480764

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one?
The IUPAC name of 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one (CID 46232585) is 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one.
What is the SMILES notation for 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one?
The canonical SMILES for 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one is O=c1c2ccc3ccccc3c2oc2cc(OCC3CO3)cc(O)c12.
What is the InChIKey of 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one?
The InChIKey is IMGIRVFTUXJYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c21-16-7-12(23-9-13-10-24-13)8-17-18(16)19(22)15-6-5-11-3-1-2-4-14(11)20(15)25-17/h1-8,13,21H,9-10H2.
What are the key properties of 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one?
8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-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 8-hydroxy-10-(oxiran-2-ylmethoxy)benzo[c]xanthen-7-one is sourced from PubChem (CID 46232585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).