16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol

C25H41NO2 — CID 11429148

IUPAC16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
SMILESCOc1cccc2c(CCCCCCCCCCCCCCCCO)c[nH]c12
InChIInChI=1S/C25H41NO2/c1-28-24-19-16-18-23-22(21-26-25(23)24)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-27/h16,18-19,21,26-27H,2-15,17,20H2,1H3
InChIKeyHLEOLZBYRYCWOU-UHFFFAOYSA-N
MW387.61 g/mol
LogP7.17
Rot. Bonds17

About 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol

16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol (PubChem CID 11429148) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol.

Molecular Properties

Compound Name16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
PubChem CID11429148
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
SMILESCOc1cccc2c(CCCCCCCCCCCCCCCCO)c[nH]c12
InChIInChI=1S/C25H41NO2/c1-28-24-19-16-18-23-22(21-26-25(23)24)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-27/h16,18-19,21,26-27H,2-15,17,20H2,1H3
InChIKeyHLEOLZBYRYCWOU-UHFFFAOYSA-N
XLogP7.17
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol?
The IUPAC name of 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol (CID 11429148) is 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol.
What is the SMILES notation for 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol?
The canonical SMILES for 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol is COc1cccc2c(CCCCCCCCCCCCCCCCO)c[nH]c12.
What is the InChIKey of 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol?
The InChIKey is HLEOLZBYRYCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO2/c1-28-24-19-16-18-23-22(21-26-25(23)24)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-20-27/h16,18-19,21,26-27H,2-15,17,20H2,1H3.
What are the key properties of 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol?
16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol has a molecular weight of 387.61 g/mol, XLogP of 7.17, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol is sourced from PubChem (CID 11429148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).