2-ethoxyxanthen-9-one

C15H12O3 — CID 14150405

IUPAC2-ethoxyxanthen-9-one
SMILESCCOc1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C15H12O3/c1-2-17-10-7-8-14-12(9-10)15(16)11-5-3-4-6-13(11)18-14/h3-9H,2H2,1H3
InChIKeyHWHLGVNXPKATCT-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.34
Rot. Bonds2

About 2-ethoxyxanthen-9-one

2-ethoxyxanthen-9-one (PubChem CID 14150405) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-ethoxyxanthen-9-one.

Molecular Properties

Compound Name2-ethoxyxanthen-9-one
PubChem CID14150405
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-ethoxyxanthen-9-one
SMILESCCOc1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C15H12O3/c1-2-17-10-7-8-14-12(9-10)15(16)11-5-3-4-6-13(11)18-14/h3-9H,2H2,1H3
InChIKeyHWHLGVNXPKATCT-UHFFFAOYSA-N
XLogP3.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
propane;xanthen-9-one
CID 90876458
2-(3-chloro-2-hydroxypropoxy)xanthen-9-one
CID 10638254
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-ethoxythioxanthen-9-one
CID 14150410
3-(3-iodopropoxy)xanthen-9-one
CID 10643472
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2-nona-1,3,5,7-tetraynoxyxanthen-9-one
CID 168764753
6-ethoxy-4-methoxychromen-2-one
CID 90255456
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one
CID 10830997
6-ethoxy-4-propylchromen-2-one
CID 134087770

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyxanthen-9-one?
The IUPAC name of 2-ethoxyxanthen-9-one (CID 14150405) is 2-ethoxyxanthen-9-one.
What is the SMILES notation for 2-ethoxyxanthen-9-one?
The canonical SMILES for 2-ethoxyxanthen-9-one is CCOc1ccc2oc3ccccc3c(=O)c2c1.
What is the InChIKey of 2-ethoxyxanthen-9-one?
The InChIKey is HWHLGVNXPKATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-2-17-10-7-8-14-12(9-10)15(16)11-5-3-4-6-13(11)18-14/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxyxanthen-9-one?
2-ethoxyxanthen-9-one has a molecular weight of 240.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyxanthen-9-one is sourced from PubChem (CID 14150405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).