1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one

C16H14N4O2 — CID 132819856

IUPAC1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Cn1cnnn1
InChIInChI=1S/C16H14N4O2/c21-15(10-20-12-17-18-19-20)11-22-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyLRMSAQZXASJTNE-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds6

About 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one

1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one (PubChem CID 132819856) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one
PubChem CID132819856
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Cn1cnnn1
InChIInChI=1S/C16H14N4O2/c21-15(10-20-12-17-18-19-20)11-22-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyLRMSAQZXASJTNE-UHFFFAOYSA-N
XLogP1.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one?
The IUPAC name of 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one (CID 132819856) is 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one?
The canonical SMILES for 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one is O=C(COc1ccc(-c2ccccc2)cc1)Cn1cnnn1.
What is the InChIKey of 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one?
The InChIKey is LRMSAQZXASJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(10-20-12-17-18-19-20)11-22-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,12H,10-11H2.
What are the key properties of 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one?
1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one has a molecular weight of 294.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)-3-(tetrazol-1-yl)propan-2-one is sourced from PubChem (CID 132819856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).