9-hydroxynonyl benzoate

C16H24O3 — CID 19915374

IUPAC9-hydroxynonyl benzoate
SMILESO=C(OCCCCCCCCCO)c1ccccc1
InChIInChI=1S/C16H24O3/c17-13-9-4-2-1-3-5-10-14-19-16(18)15-11-7-6-8-12-15/h6-8,11-12,17H,1-5,9-10,13-14H2
InChIKeyZMFJSDIUBKIJBI-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.57
Rot. Bonds10

About 9-hydroxynonyl benzoate

9-hydroxynonyl benzoate (PubChem CID 19915374) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 9-hydroxynonyl benzoate.

Molecular Properties

Compound Name9-hydroxynonyl benzoate
PubChem CID19915374
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name9-hydroxynonyl benzoate
SMILESO=C(OCCCCCCCCCO)c1ccccc1
InChIInChI=1S/C16H24O3/c17-13-9-4-2-1-3-5-10-14-19-16(18)15-11-7-6-8-12-15/h6-8,11-12,17H,1-5,9-10,13-14H2
InChIKeyZMFJSDIUBKIJBI-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.57
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 9-hydroxynonyl benzoate?
The IUPAC name of 9-hydroxynonyl benzoate (CID 19915374) is 9-hydroxynonyl benzoate.
What is the SMILES notation for 9-hydroxynonyl benzoate?
The canonical SMILES for 9-hydroxynonyl benzoate is O=C(OCCCCCCCCCO)c1ccccc1.
What is the InChIKey of 9-hydroxynonyl benzoate?
The InChIKey is ZMFJSDIUBKIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c17-13-9-4-2-1-3-5-10-14-19-16(18)15-11-7-6-8-12-15/h6-8,11-12,17H,1-5,9-10,13-14H2.
What are the key properties of 9-hydroxynonyl benzoate?
9-hydroxynonyl benzoate has a molecular weight of 264.36 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynonyl benzoate is sourced from PubChem (CID 19915374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).