2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one

C16H10N4O2 — CID 46742374

IUPAC2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(-c3nn[nH]n3)cc2)oc2ccccc12
InChIInChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)
InChIKeyCDSSKRNFCDQPBZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.64
Rot. Bonds2

About 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one

2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one (PubChem CID 46742374) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one
PubChem CID46742374
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(-c3nn[nH]n3)cc2)oc2ccccc12
InChIInChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)
InChIKeyCDSSKRNFCDQPBZ-UHFFFAOYSA-N
XLogP2.64
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one?
The IUPAC name of 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one (CID 46742374) is 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one?
The canonical SMILES for 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one is O=c1cc(-c2ccc(-c3nn[nH]n3)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one?
The InChIKey is CDSSKRNFCDQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20).
What are the key properties of 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one?
2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one has a molecular weight of 290.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-yl)phenyl]chromen-4-one is sourced from PubChem (CID 46742374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).