3-(diethylamino)xanthen-9-one

C17H17NO2 — CID 44512477

IUPAC3-(diethylamino)xanthen-9-one
SMILESCCN(CC)c1ccc2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C17H17NO2/c1-3-18(4-2)12-9-10-14-16(11-12)20-15-8-6-5-7-13(15)17(14)19/h5-11H,3-4H2,1-2H3
InChIKeyNUHLEXNJZRGKNS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.79
Rot. Bonds3

About 3-(diethylamino)xanthen-9-one

3-(diethylamino)xanthen-9-one (PubChem CID 44512477) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(diethylamino)xanthen-9-one.

Molecular Properties

Compound Name3-(diethylamino)xanthen-9-one
PubChem CID44512477
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(diethylamino)xanthen-9-one
SMILESCCN(CC)c1ccc2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C17H17NO2/c1-3-18(4-2)12-9-10-14-16(11-12)20-15-8-6-5-7-13(15)17(14)19/h5-11H,3-4H2,1-2H3
InChIKeyNUHLEXNJZRGKNS-UHFFFAOYSA-N
XLogP3.79
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)xanthen-9-one?
The IUPAC name of 3-(diethylamino)xanthen-9-one (CID 44512477) is 3-(diethylamino)xanthen-9-one.
What is the SMILES notation for 3-(diethylamino)xanthen-9-one?
The canonical SMILES for 3-(diethylamino)xanthen-9-one is CCN(CC)c1ccc2c(=O)c3ccccc3oc2c1.
What is the InChIKey of 3-(diethylamino)xanthen-9-one?
The InChIKey is NUHLEXNJZRGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-18(4-2)12-9-10-14-16(11-12)20-15-8-6-5-7-13(15)17(14)19/h5-11H,3-4H2,1-2H3.
What are the key properties of 3-(diethylamino)xanthen-9-one?
3-(diethylamino)xanthen-9-one has a molecular weight of 267.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)xanthen-9-one is sourced from PubChem (CID 44512477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).