ethyl 2-hydroxy-2-phenylnonanoate

C17H26O3 — CID 11265918

IUPACethyl 2-hydroxy-2-phenylnonanoate
SMILESCCCCCCCC(O)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C17H26O3/c1-3-5-6-7-11-14-17(19,16(18)20-4-2)15-12-9-8-10-13-15/h8-10,12-13,19H,3-7,11,14H2,1-2H3
InChIKeyIARBCKUPKZQFRD-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.80
Rot. Bonds9

About ethyl 2-hydroxy-2-phenylnonanoate

ethyl 2-hydroxy-2-phenylnonanoate (PubChem CID 11265918) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenylnonanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenylnonanoate
PubChem CID11265918
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethyl 2-hydroxy-2-phenylnonanoate
SMILESCCCCCCCC(O)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C17H26O3/c1-3-5-6-7-11-14-17(19,16(18)20-4-2)15-12-9-8-10-13-15/h8-10,12-13,19H,3-7,11,14H2,1-2H3
InChIKeyIARBCKUPKZQFRD-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 2-hydroxy-2-phenylnonanoate?
The IUPAC name of ethyl 2-hydroxy-2-phenylnonanoate (CID 11265918) is ethyl 2-hydroxy-2-phenylnonanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-phenylnonanoate?
The canonical SMILES for ethyl 2-hydroxy-2-phenylnonanoate is CCCCCCCC(O)(C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2-phenylnonanoate?
The InChIKey is IARBCKUPKZQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-5-6-7-11-14-17(19,16(18)20-4-2)15-12-9-8-10-13-15/h8-10,12-13,19H,3-7,11,14H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-phenylnonanoate?
ethyl 2-hydroxy-2-phenylnonanoate has a molecular weight of 278.39 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenylnonanoate is sourced from PubChem (CID 11265918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).