2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate

C19H20N4O3 — CID 8509646

IUPAC2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESCc1ccc(OCCOC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C19H20N4O3/c1-15-7-9-17(10-8-15)25-11-12-26-19(24)18(23-14-20-21-22-23)13-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t18-/m1/s1
InChIKeyOEIBFYCYSOQKDD-GOSISDBHSA-N
MW352.39 g/mol
LogP2.39
Rot. Bonds8

About 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate

2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate (PubChem CID 8509646) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
PubChem CID8509646
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESCc1ccc(OCCOC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C19H20N4O3/c1-15-7-9-17(10-8-15)25-11-12-26-19(24)18(23-14-20-21-22-23)13-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t18-/m1/s1
InChIKeyOEIBFYCYSOQKDD-GOSISDBHSA-N
XLogP2.39
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The IUPAC name of 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate (CID 8509646) is 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate is Cc1ccc(OCCOC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The InChIKey is OEIBFYCYSOQKDD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-15-7-9-17(10-8-15)25-11-12-26-19(24)18(23-14-20-21-22-23)13-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t18-/m1/s1.
What are the key properties of 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate?
2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate has a molecular weight of 352.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate is sourced from PubChem (CID 8509646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).