2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one

C15H10N4O3 — CID 19865565

IUPAC2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one
SMILESCOc1ccc2oc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1
InChIInChI=1S/C15H10N4O3/c1-21-9-3-5-12-11(7-9)14(20)10-4-2-8(6-13(10)22-12)15-16-18-19-17-15/h2-7H,1H3,(H,16,17,18,19)
InChIKeyYTYRBNMFLQCUEX-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.13
Rot. Bonds2

About 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one

2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one (PubChem CID 19865565) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one.

Molecular Properties

Compound Name2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one
PubChem CID19865565
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one
SMILESCOc1ccc2oc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1
InChIInChI=1S/C15H10N4O3/c1-21-9-3-5-12-11(7-9)14(20)10-4-2-8(6-13(10)22-12)15-16-18-19-17-15/h2-7H,1H3,(H,16,17,18,19)
InChIKeyYTYRBNMFLQCUEX-UHFFFAOYSA-N
XLogP2.13
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one?
The IUPAC name of 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one (CID 19865565) is 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one.
What is the SMILES notation for 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one?
The canonical SMILES for 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one is COc1ccc2oc3cc(-c4nn[nH]n4)ccc3c(=O)c2c1.
What is the InChIKey of 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one?
The InChIKey is YTYRBNMFLQCUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c1-21-9-3-5-12-11(7-9)14(20)10-4-2-8(6-13(10)22-12)15-16-18-19-17-15/h2-7H,1H3,(H,16,17,18,19).
What are the key properties of 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one?
2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one has a molecular weight of 294.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one is sourced from PubChem (CID 19865565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).