4-ethylxanthen-9-one

C15H12O2 — CID 15075530

IUPAC4-ethylxanthen-9-one
SMILESCCc1cccc2c(=O)c3ccccc3oc12
InChIInChI=1S/C15H12O2/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)17-15(10)12/h3-9H,2H2,1H3
InChIKeyDKMCIPPOZKURTH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.51
Rot. Bonds1

About 4-ethylxanthen-9-one

4-ethylxanthen-9-one (PubChem CID 15075530) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-ethylxanthen-9-one.

Molecular Properties

Compound Name4-ethylxanthen-9-one
PubChem CID15075530
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name4-ethylxanthen-9-one
SMILESCCc1cccc2c(=O)c3ccccc3oc12
InChIInChI=1S/C15H12O2/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)17-15(10)12/h3-9H,2H2,1H3
InChIKeyDKMCIPPOZKURTH-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-ethylxanthen-9-one?
The IUPAC name of 4-ethylxanthen-9-one (CID 15075530) is 4-ethylxanthen-9-one.
What is the SMILES notation for 4-ethylxanthen-9-one?
The canonical SMILES for 4-ethylxanthen-9-one is CCc1cccc2c(=O)c3ccccc3oc12.
What is the InChIKey of 4-ethylxanthen-9-one?
The InChIKey is DKMCIPPOZKURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-2-10-6-5-8-12-14(16)11-7-3-4-9-13(11)17-15(10)12/h3-9H,2H2,1H3.
What are the key properties of 4-ethylxanthen-9-one?
4-ethylxanthen-9-one has a molecular weight of 224.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylxanthen-9-one is sourced from PubChem (CID 15075530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).