2-(1H-indol-5-yl)xanthen-9-one

C21H13NO2 — CID 24747921

IUPAC2-(1H-indol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-8-6-14(12-17(20)21)13-5-7-18-15(11-13)9-10-22-18/h1-12,22H
InChIKeyQHBULSMFFXTEHH-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.09
Rot. Bonds1

About 2-(1H-indol-5-yl)xanthen-9-one

2-(1H-indol-5-yl)xanthen-9-one (PubChem CID 24747921) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)xanthen-9-one.

Molecular Properties

Compound Name2-(1H-indol-5-yl)xanthen-9-one
PubChem CID24747921
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name2-(1H-indol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-8-6-14(12-17(20)21)13-5-7-18-15(11-13)9-10-22-18/h1-12,22H
InChIKeyQHBULSMFFXTEHH-UHFFFAOYSA-N
XLogP5.09
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(1H-indol-5-yl)xanthen-9-one?
The IUPAC name of 2-(1H-indol-5-yl)xanthen-9-one (CID 24747921) is 2-(1H-indol-5-yl)xanthen-9-one.
What is the SMILES notation for 2-(1H-indol-5-yl)xanthen-9-one?
The canonical SMILES for 2-(1H-indol-5-yl)xanthen-9-one is O=c1c2ccccc2oc2ccc(-c3ccc4[nH]ccc4c3)cc12.
What is the InChIKey of 2-(1H-indol-5-yl)xanthen-9-one?
The InChIKey is QHBULSMFFXTEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-8-6-14(12-17(20)21)13-5-7-18-15(11-13)9-10-22-18/h1-12,22H.
What are the key properties of 2-(1H-indol-5-yl)xanthen-9-one?
2-(1H-indol-5-yl)xanthen-9-one has a molecular weight of 311.34 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)xanthen-9-one is sourced from PubChem (CID 24747921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).