dodecyl 4-hydroxybenzoate

C19H30O3 — CID 17569

IUPACdodecyl 4-hydroxybenzoate
SMILESCCCCCCCCCCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3
InChIKeyBAYSQTBAJQRACX-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.47
Rot. Bonds12

About dodecyl 4-hydroxybenzoate

dodecyl 4-hydroxybenzoate (PubChem CID 17569) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is dodecyl 4-hydroxybenzoate.

Molecular Properties

Compound Namedodecyl 4-hydroxybenzoate
PubChem CID17569
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Namedodecyl 4-hydroxybenzoate
SMILESCCCCCCCCCCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3
InChIKeyBAYSQTBAJQRACX-UHFFFAOYSA-N
XLogP5.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dodecyl 4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dodecyl 4-hydroxybenzoate?
The IUPAC name of dodecyl 4-hydroxybenzoate (CID 17569) is dodecyl 4-hydroxybenzoate.
What is the SMILES notation for dodecyl 4-hydroxybenzoate?
The canonical SMILES for dodecyl 4-hydroxybenzoate is CCCCCCCCCCCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of dodecyl 4-hydroxybenzoate?
The InChIKey is BAYSQTBAJQRACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3.
What are the key properties of dodecyl 4-hydroxybenzoate?
dodecyl 4-hydroxybenzoate has a molecular weight of 306.45 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 4-hydroxybenzoate is sourced from PubChem (CID 17569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).