3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one

C21H25NO4 — CID 154225288

IUPAC3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
SMILESCCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1
InChIInChI=1S/C21H25NO4/c1-4-22(5-2)11-12-25-16-8-10-18-20(14-16)26-19-13-15(24-6-3)7-9-17(19)21(18)23/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyIHENKAZFSOZZBO-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.07
Rot. Bonds8

About 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one

3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one (PubChem CID 154225288) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
PubChem CID154225288
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
SMILESCCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1
InChIInChI=1S/C21H25NO4/c1-4-22(5-2)11-12-25-16-8-10-18-20(14-16)26-19-13-15(24-6-3)7-9-17(19)21(18)23/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyIHENKAZFSOZZBO-UHFFFAOYSA-N
XLogP4.07
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
4-bromo-6-[2-(diethylamino)ethoxy]-1,3-dimethoxyxanthen-9-one
CID 163444689
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
CID 141398776
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54374565
3,6-bis(2-methoxyethoxymethoxy)xanthen-9-one
CID 86228251
3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 59242964
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
2-ethoxyxanthen-9-one
CID 14150405

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one?
The IUPAC name of 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one (CID 154225288) is 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one is CCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one?
The InChIKey is IHENKAZFSOZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-22(5-2)11-12-25-16-8-10-18-20(14-16)26-19-13-15(24-6-3)7-9-17(19)21(18)23/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one?
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one has a molecular weight of 355.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one is sourced from PubChem (CID 154225288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).