6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one

C16H12N4O3 — CID 10852292

IUPAC6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one
SMILESCCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1
InChIInChI=1S/C16H12N4O3/c1-2-20-18-16(17-19-20)9-3-5-11-14(7-9)23-13-6-4-10(21)8-12(13)15(11)22/h3-8,21H,2H2,1H3
InChIKeyHYHPORHNIKDYGO-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.33
Rot. Bonds2

About 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one

6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one (PubChem CID 10852292) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one.

Molecular Properties

Compound Name6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one
PubChem CID10852292
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one
SMILESCCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1
InChIInChI=1S/C16H12N4O3/c1-2-20-18-16(17-19-20)9-3-5-11-14(7-9)23-13-6-4-10(21)8-12(13)15(11)22/h3-8,21H,2H2,1H3
InChIKeyHYHPORHNIKDYGO-UHFFFAOYSA-N
XLogP2.33
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one?
The IUPAC name of 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one (CID 10852292) is 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one.
What is the SMILES notation for 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one?
The canonical SMILES for 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one is CCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1.
What is the InChIKey of 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one?
The InChIKey is HYHPORHNIKDYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-2-20-18-16(17-19-20)9-3-5-11-14(7-9)23-13-6-4-10(21)8-12(13)15(11)22/h3-8,21H,2H2,1H3.
What are the key properties of 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one?
6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one has a molecular weight of 308.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyltetrazol-5-yl)-2-hydroxyxanthen-9-one is sourced from PubChem (CID 10852292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).