1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one

C15H13ClN4O2 — CID 18098879

IUPAC1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one
SMILESO=c1n(CCOc2cccc(Cl)c2)nnn1-c1ccccc1
InChIInChI=1S/C15H13ClN4O2/c16-12-5-4-8-14(11-12)22-10-9-19-15(21)20(18-17-19)13-6-2-1-3-7-13/h1-8,11H,9-10H2
InChIKeyYJDLJSKMWFWCDD-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one

1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one (PubChem CID 18098879) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one
PubChem CID18098879
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one
SMILESO=c1n(CCOc2cccc(Cl)c2)nnn1-c1ccccc1
InChIInChI=1S/C15H13ClN4O2/c16-12-5-4-8-14(11-12)22-10-9-19-15(21)20(18-17-19)13-6-2-1-3-7-13/h1-8,11H,9-10H2
InChIKeyYJDLJSKMWFWCDD-UHFFFAOYSA-N
XLogP2.16
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one (CID 18098879) is 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one is O=c1n(CCOc2cccc(Cl)c2)nnn1-c1ccccc1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one?
The InChIKey is YJDLJSKMWFWCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-12-5-4-8-14(11-12)22-10-9-19-15(21)20(18-17-19)13-6-2-1-3-7-13/h1-8,11H,9-10H2.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one?
1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one has a molecular weight of 316.75 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 18098879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).