3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one

C17H16N4O2 — CID 46890467

IUPAC3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one
SMILESCOc1ccccc1-c1nnnn1CCC(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-23-16-10-6-5-9-14(16)17-18-19-20-21(17)12-11-15(22)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyGRFYMBPBEGTEDV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds6

About 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one

3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one (PubChem CID 46890467) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one
PubChem CID46890467
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one
SMILESCOc1ccccc1-c1nnnn1CCC(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-23-16-10-6-5-9-14(16)17-18-19-20-21(17)12-11-15(22)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyGRFYMBPBEGTEDV-UHFFFAOYSA-N
XLogP2.62
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one (CID 46890467) is 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one is COc1ccccc1-c1nnnn1CCC(=O)c1ccccc1.
What is the InChIKey of 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one?
The InChIKey is GRFYMBPBEGTEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-16-10-6-5-9-14(16)17-18-19-20-21(17)12-11-15(22)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one?
3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one has a molecular weight of 308.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyphenyl)tetrazol-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 46890467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).