2-ethoxythioxanthen-9-one

C15H12O2S — CID 14150410

IUPAC2-ethoxythioxanthen-9-one
SMILESCCOc1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C15H12O2S/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
InChIKeyPOVVQQAQQGDZGF-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.81
Rot. Bonds2

About 2-ethoxythioxanthen-9-one

2-ethoxythioxanthen-9-one (PubChem CID 14150410) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-ethoxythioxanthen-9-one.

Molecular Properties

Compound Name2-ethoxythioxanthen-9-one
PubChem CID14150410
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name2-ethoxythioxanthen-9-one
SMILESCCOc1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C15H12O2S/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
InChIKeyPOVVQQAQQGDZGF-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.81
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

2-ethoxydibenzothiophene
CID 102527162
2-(3-hydroxypropoxy)thioxanthen-9-one
CID 143903572
3-(9-oxothioxanthen-2-yl)oxypropanoic acid
CID 67352192
2-(9-oxothioxanthen-2-yl)oxyethyl 2,2-dimethylbutanoate
CID 118603261
2-(3-methoxy-3-methyl-2-oxobutoxy)thioxanthen-9-one
CID 143687369
N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide
CID 58434152
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
(9-oxothioxanthen-2-yl) 2-bromoacetate
CID 118069117
2-[2-[4-[2-hydroxyimino-3-[4-[2-(9-oxothioxanthen-2-yl)oxyethoxy]phenyl]propyl]phenoxy]ethoxy]thioxanthen-9-one
CID 167430697
butyl-[2-hydroxy-3-(9-oxothioxanthen-2-yl)oxypropyl]-dimethylazanium chloride
CID 139891195
2-ethoxyxanthen-9-one
CID 14150405
3-[diethyl-[3-(9-oxothioxanthen-2-yl)oxypropyl]azaniumyl]propyl hydrogen phosphate
CID 140743462

Frequently Asked Questions

What is the IUPAC name of 2-ethoxythioxanthen-9-one?
The IUPAC name of 2-ethoxythioxanthen-9-one (CID 14150410) is 2-ethoxythioxanthen-9-one.
What is the SMILES notation for 2-ethoxythioxanthen-9-one?
The canonical SMILES for 2-ethoxythioxanthen-9-one is CCOc1ccc2sc3ccccc3c(=O)c2c1.
What is the InChIKey of 2-ethoxythioxanthen-9-one?
The InChIKey is POVVQQAQQGDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S/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-ethoxythioxanthen-9-one?
2-ethoxythioxanthen-9-one has a molecular weight of 256.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxythioxanthen-9-one is sourced from PubChem (CID 14150410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).