2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one

C17H12N4O3 — CID 4276535

IUPAC2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3nn[nH]n3)ccc12
InChIInChI=1S/C17H12N4O3/c22-14-9-15(11-4-2-1-3-5-11)24-16-8-12(6-7-13(14)16)23-10-17-18-20-21-19-17/h1-9H,10H2,(H,18,19,20,21)
InChIKeyVJLRKVCYPCLFAK-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.55
Rot. Bonds4

About 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one

2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one (PubChem CID 4276535) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one.

Molecular Properties

Compound Name2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one
PubChem CID4276535
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3nn[nH]n3)ccc12
InChIInChI=1S/C17H12N4O3/c22-14-9-15(11-4-2-1-3-5-11)24-16-8-12(6-7-13(14)16)23-10-17-18-20-21-19-17/h1-9H,10H2,(H,18,19,20,21)
InChIKeyVJLRKVCYPCLFAK-UHFFFAOYSA-N
XLogP2.55
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one?
The IUPAC name of 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one (CID 4276535) is 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one.
What is the SMILES notation for 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one?
The canonical SMILES for 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCc3nn[nH]n3)ccc12.
What is the InChIKey of 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one?
The InChIKey is VJLRKVCYPCLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-14-9-15(11-4-2-1-3-5-11)24-16-8-12(6-7-13(14)16)23-10-17-18-20-21-19-17/h1-9H,10H2,(H,18,19,20,21).
What are the key properties of 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one?
2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one has a molecular weight of 320.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(2H-tetrazol-5-ylmethoxy)chromen-4-one is sourced from PubChem (CID 4276535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).