1-pentylindol-5-ol

C13H17NO — CID 142952081

IUPAC1-pentylindol-5-ol
SMILESCCCCCn1ccc2cc(O)ccc21
InChIInChI=1S/C13H17NO/c1-2-3-4-8-14-9-7-11-10-12(15)5-6-13(11)14/h5-7,9-10,15H,2-4,8H2,1H3
InChIKeyDDAYQBMYUFMGOU-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.54
Rot. Bonds4

About 1-pentylindol-5-ol

1-pentylindol-5-ol (PubChem CID 142952081) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-pentylindol-5-ol.

Molecular Properties

Compound Name1-pentylindol-5-ol
PubChem CID142952081
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-pentylindol-5-ol
SMILESCCCCCn1ccc2cc(O)ccc21
InChIInChI=1S/C13H17NO/c1-2-3-4-8-14-9-7-11-10-12(15)5-6-13(11)14/h5-7,9-10,15H,2-4,8H2,1H3
InChIKeyDDAYQBMYUFMGOU-UHFFFAOYSA-N
XLogP3.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
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 1-pentylindol-5-ol?
The IUPAC name of 1-pentylindol-5-ol (CID 142952081) is 1-pentylindol-5-ol.
What is the SMILES notation for 1-pentylindol-5-ol?
The canonical SMILES for 1-pentylindol-5-ol is CCCCCn1ccc2cc(O)ccc21.
What is the InChIKey of 1-pentylindol-5-ol?
The InChIKey is DDAYQBMYUFMGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-8-14-9-7-11-10-12(15)5-6-13(11)14/h5-7,9-10,15H,2-4,8H2,1H3.
What are the key properties of 1-pentylindol-5-ol?
1-pentylindol-5-ol has a molecular weight of 203.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylindol-5-ol is sourced from PubChem (CID 142952081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).