ethyl 2-(4-indazol-2-ylphenyl)propanoate

C18H18N2O2 — CID 3067327

IUPACethyl 2-(4-indazol-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)19-20/h4-13H,3H2,1-2H3
InChIKeyCIZNHRGXNNFZJV-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds4

About ethyl 2-(4-indazol-2-ylphenyl)propanoate

ethyl 2-(4-indazol-2-ylphenyl)propanoate (PubChem CID 3067327) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-(4-indazol-2-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-indazol-2-ylphenyl)propanoate
PubChem CID3067327
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 2-(4-indazol-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)19-20/h4-13H,3H2,1-2H3
InChIKeyCIZNHRGXNNFZJV-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-indazol-2-ylphenyl)propanoate?
The IUPAC name of ethyl 2-(4-indazol-2-ylphenyl)propanoate (CID 3067327) is ethyl 2-(4-indazol-2-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(4-indazol-2-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-(4-indazol-2-ylphenyl)propanoate is CCOC(=O)C(C)c1ccc(-n2cc3ccccc3n2)cc1.
What is the InChIKey of ethyl 2-(4-indazol-2-ylphenyl)propanoate?
The InChIKey is CIZNHRGXNNFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-18(21)13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)19-20/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-indazol-2-ylphenyl)propanoate?
ethyl 2-(4-indazol-2-ylphenyl)propanoate has a molecular weight of 294.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-indazol-2-ylphenyl)propanoate is sourced from PubChem (CID 3067327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).