2-octadecyl-1H-indol-3-ol

C26H43NO — CID 11574561

IUPAC2-octadecyl-1H-indol-3-ol
SMILESCCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O
InChIInChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3
InChIKeyAYPYUZXAFNVUEC-UHFFFAOYSA-N
MW385.64 g/mol
LogP8.68
Rot. Bonds17

About 2-octadecyl-1H-indol-3-ol

2-octadecyl-1H-indol-3-ol (PubChem CID 11574561) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is 2-octadecyl-1H-indol-3-ol.

Molecular Properties

Compound Name2-octadecyl-1H-indol-3-ol
PubChem CID11574561
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC Name2-octadecyl-1H-indol-3-ol
SMILESCCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O
InChIInChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3
InChIKeyAYPYUZXAFNVUEC-UHFFFAOYSA-N
XLogP8.68
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-octadecyl-1H-indol-3-ol?
The IUPAC name of 2-octadecyl-1H-indol-3-ol (CID 11574561) is 2-octadecyl-1H-indol-3-ol.
What is the SMILES notation for 2-octadecyl-1H-indol-3-ol?
The canonical SMILES for 2-octadecyl-1H-indol-3-ol is CCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O.
What is the InChIKey of 2-octadecyl-1H-indol-3-ol?
The InChIKey is AYPYUZXAFNVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3.
What are the key properties of 2-octadecyl-1H-indol-3-ol?
2-octadecyl-1H-indol-3-ol has a molecular weight of 385.64 g/mol, XLogP of 8.68, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecyl-1H-indol-3-ol is sourced from PubChem (CID 11574561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).