nonyl 4-hydroxybenzoate

C16H24O3 — CID 586708

IUPACnonyl 4-hydroxybenzoate
SMILESCCCCCCCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3
InChIKeyMBNSKHJDYXPONL-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.30
Rot. Bonds9

About nonyl 4-hydroxybenzoate

nonyl 4-hydroxybenzoate (PubChem CID 586708) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is nonyl 4-hydroxybenzoate.

Molecular Properties

Compound Namenonyl 4-hydroxybenzoate
PubChem CID586708
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namenonyl 4-hydroxybenzoate
SMILESCCCCCCCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3
InChIKeyMBNSKHJDYXPONL-UHFFFAOYSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.30
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 nonyl 4-hydroxybenzoate?
The IUPAC name of nonyl 4-hydroxybenzoate (CID 586708) is nonyl 4-hydroxybenzoate.
What is the SMILES notation for nonyl 4-hydroxybenzoate?
The canonical SMILES for nonyl 4-hydroxybenzoate is CCCCCCCCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of nonyl 4-hydroxybenzoate?
The InChIKey is MBNSKHJDYXPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3.
What are the key properties of nonyl 4-hydroxybenzoate?
nonyl 4-hydroxybenzoate has a molecular weight of 264.37 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 4-hydroxybenzoate is sourced from PubChem (CID 586708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).