(3-hydroxyindol-1-yl) octadecanoate

C26H41NO3 — CID 67190886

IUPAC(3-hydroxyindol-1-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)On1cc(O)c2ccccc21
InChIInChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(29)30-27-22-25(28)23-19-17-18-20-24(23)27/h17-20,22,28H,2-16,21H2,1H3
InChIKeyZFWFZPQXQARAGF-UHFFFAOYSA-N
MW415.62 g/mol
LogP7.56
Rot. Bonds17

About (3-hydroxyindol-1-yl) octadecanoate

(3-hydroxyindol-1-yl) octadecanoate (PubChem CID 67190886) has the molecular formula C26H41NO3 and a molecular weight of 415.62 g/mol. Its IUPAC name is (3-hydroxyindol-1-yl) octadecanoate.

Molecular Properties

Compound Name(3-hydroxyindol-1-yl) octadecanoate
PubChem CID67190886
Molecular FormulaC26H41NO3
Molecular Weight415.62 g/mol
Exact Mass415.31
IUPAC Name(3-hydroxyindol-1-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)On1cc(O)c2ccccc21
InChIInChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(29)30-27-22-25(28)23-19-17-18-20-24(23)27/h17-20,22,28H,2-16,21H2,1H3
InChIKeyZFWFZPQXQARAGF-UHFFFAOYSA-N
XLogP7.56
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-hydroxyindol-1-yl) octadecanoate with MolForge

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

Launch Full Analysis

Related Compounds

(3-hydroxyindol-1-yl) acetate
CID 54423588
(9-oxoacridin-10-yl) hexanoate
CID 154249788
(2,6-dihydroxyphenyl) octadecanoate
CID 67788955
hexadecanoyl 3-formylindole-1-carboperoxoate
CID 175399392
(2-oxoquinolin-1-yl) undecanoate
CID 57076345
[3-(hydroxymethyl)indol-1-yl]methyl octanoate
CID 171593267
[3-(hydroxymethyl)indol-1-yl] 2-methylhexadecanoate
CID 175399365
(1,3-dichloroindol-2-yl) octanoate
CID 66912478
(2,5-dihydroxypyrrol-1-yl) tetracos-15-enoate
CID 91123132
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
(2,6-dihydroxyphenyl) (Z)-octadec-9-enoate
CID 70294873
pyrrol-1-yl hexadecanoate
CID 174900784

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyindol-1-yl) octadecanoate?
The IUPAC name of (3-hydroxyindol-1-yl) octadecanoate (CID 67190886) is (3-hydroxyindol-1-yl) octadecanoate.
What is the SMILES notation for (3-hydroxyindol-1-yl) octadecanoate?
The canonical SMILES for (3-hydroxyindol-1-yl) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)On1cc(O)c2ccccc21.
What is the InChIKey of (3-hydroxyindol-1-yl) octadecanoate?
The InChIKey is ZFWFZPQXQARAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(29)30-27-22-25(28)23-19-17-18-20-24(23)27/h17-20,22,28H,2-16,21H2,1H3.
What are the key properties of (3-hydroxyindol-1-yl) octadecanoate?
(3-hydroxyindol-1-yl) octadecanoate has a molecular weight of 415.62 g/mol, XLogP of 7.56, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyindol-1-yl) octadecanoate is sourced from PubChem (CID 67190886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).