propyl 5-(5-hydroxyindol-1-yl)pentanoate

C16H21NO3 — CID 142923299

IUPACpropyl 5-(5-hydroxyindol-1-yl)pentanoate
SMILESCCCOC(=O)CCCCn1ccc2cc(O)ccc21
InChIInChI=1S/C16H21NO3/c1-2-11-20-16(19)5-3-4-9-17-10-8-13-12-14(18)6-7-15(13)17/h6-8,10,12,18H,2-5,9,11H2,1H3
InChIKeyWZRFDBXZUBHIEX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.47
Rot. Bonds7

About propyl 5-(5-hydroxyindol-1-yl)pentanoate

propyl 5-(5-hydroxyindol-1-yl)pentanoate (PubChem CID 142923299) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is propyl 5-(5-hydroxyindol-1-yl)pentanoate.

Molecular Properties

Compound Namepropyl 5-(5-hydroxyindol-1-yl)pentanoate
PubChem CID142923299
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namepropyl 5-(5-hydroxyindol-1-yl)pentanoate
SMILESCCCOC(=O)CCCCn1ccc2cc(O)ccc21
InChIInChI=1S/C16H21NO3/c1-2-11-20-16(19)5-3-4-9-17-10-8-13-12-14(18)6-7-15(13)17/h6-8,10,12,18H,2-5,9,11H2,1H3
InChIKeyWZRFDBXZUBHIEX-UHFFFAOYSA-N
XLogP3.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
1-pentylindol-5-ol
CID 142952081
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
1-(2-methoxyethyl)indol-5-ol
CID 138679498
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate
CID 162427541
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate
CID 91095666

Frequently Asked Questions

What is the IUPAC name of propyl 5-(5-hydroxyindol-1-yl)pentanoate?
The IUPAC name of propyl 5-(5-hydroxyindol-1-yl)pentanoate (CID 142923299) is propyl 5-(5-hydroxyindol-1-yl)pentanoate.
What is the SMILES notation for propyl 5-(5-hydroxyindol-1-yl)pentanoate?
The canonical SMILES for propyl 5-(5-hydroxyindol-1-yl)pentanoate is CCCOC(=O)CCCCn1ccc2cc(O)ccc21.
What is the InChIKey of propyl 5-(5-hydroxyindol-1-yl)pentanoate?
The InChIKey is WZRFDBXZUBHIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-11-20-16(19)5-3-4-9-17-10-8-13-12-14(18)6-7-15(13)17/h6-8,10,12,18H,2-5,9,11H2,1H3.
What are the key properties of propyl 5-(5-hydroxyindol-1-yl)pentanoate?
propyl 5-(5-hydroxyindol-1-yl)pentanoate has a molecular weight of 275.35 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-(5-hydroxyindol-1-yl)pentanoate is sourced from PubChem (CID 142923299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).