2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one

C21H26N2O4 — CID 57439560

IUPAC2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
SMILESCN(C)CCOc1ccc2c(=O)c3cc(OCCN(C)C)ccc3oc2c1
InChIInChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-6-8-19-18(13-15)21(24)17-7-5-16(14-20(17)27-19)26-12-10-23(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyVKHFNFYASDGNJC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.83
Rot. Bonds8

About 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one

2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one (PubChem CID 57439560) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one.

Molecular Properties

Compound Name2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
PubChem CID57439560
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
SMILESCN(C)CCOc1ccc2c(=O)c3cc(OCCN(C)C)ccc3oc2c1
InChIInChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-6-8-19-18(13-15)21(24)17-7-5-16(14-20(17)27-19)26-12-10-23(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyVKHFNFYASDGNJC-UHFFFAOYSA-N
XLogP2.83
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
2,6-bis(3-piperidin-1-ylpropoxy)xanthen-9-one
CID 57439571
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one
CID 10065831
2-ethoxyxanthen-9-one
CID 14150405
2,7-bis(6-aminohexoxy)xanthen-9-one
CID 71716712
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
3-(3-iodopropoxy)xanthen-9-one
CID 10643472

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one?
The IUPAC name of 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one (CID 57439560) is 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one.
What is the SMILES notation for 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one?
The canonical SMILES for 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one is CN(C)CCOc1ccc2c(=O)c3cc(OCCN(C)C)ccc3oc2c1.
What is the InChIKey of 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one?
The InChIKey is VKHFNFYASDGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-6-8-19-18(13-15)21(24)17-7-5-16(14-20(17)27-19)26-12-10-23(3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one?
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one has a molecular weight of 370.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one is sourced from PubChem (CID 57439560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).