2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol

C16H16N4O2 — CID 10266568

IUPAC2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol
SMILESCn1nnnc1C(Oc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-20-16(17-18-19-20)15(22-13-10-6-3-7-11-13)14(21)12-8-4-2-5-9-12/h2-11,14-15,21H,1H3
InChIKeyUNYOVYDIXMDJTF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.06
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol

2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol (PubChem CID 10266568) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol
PubChem CID10266568
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol
SMILESCn1nnnc1C(Oc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-20-16(17-18-19-20)15(22-13-10-6-3-7-11-13)14(21)12-8-4-2-5-9-12/h2-11,14-15,21H,1H3
InChIKeyUNYOVYDIXMDJTF-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol?
The IUPAC name of 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol (CID 10266568) is 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol is Cn1nnnc1C(Oc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol?
The InChIKey is UNYOVYDIXMDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-16(17-18-19-20)15(22-13-10-6-3-7-11-13)14(21)12-8-4-2-5-9-12/h2-11,14-15,21H,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol?
2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol has a molecular weight of 296.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol is sourced from PubChem (CID 10266568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).