5-heptoxy-1H-indole

C15H21NO — CID 80642434

IUPAC5-heptoxy-1H-indole
SMILESCCCCCCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-11-17-14-7-8-15-13(12-14)9-10-16-15/h7-10,12,16H,2-6,11H2,1H3
InChIKeyKSLOHQJPBPQMHX-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.52
Rot. Bonds7

About 5-heptoxy-1H-indole

5-heptoxy-1H-indole (PubChem CID 80642434) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-heptoxy-1H-indole.

Molecular Properties

Compound Name5-heptoxy-1H-indole
PubChem CID80642434
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-heptoxy-1H-indole
SMILESCCCCCCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-11-17-14-7-8-15-13(12-14)9-10-16-15/h7-10,12,16H,2-6,11H2,1H3
InChIKeyKSLOHQJPBPQMHX-UHFFFAOYSA-N
XLogP4.52
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
5-[(2-butoxyphenyl)methoxy]-1H-indole
CID 67917034
5-pent-4-ynoxy-1H-indole
CID 112548784
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
1H-indol-5-yl pentanoate
CID 174735386
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937

Frequently Asked Questions

What is the IUPAC name of 5-heptoxy-1H-indole?
The IUPAC name of 5-heptoxy-1H-indole (CID 80642434) is 5-heptoxy-1H-indole.
What is the SMILES notation for 5-heptoxy-1H-indole?
The canonical SMILES for 5-heptoxy-1H-indole is CCCCCCCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-heptoxy-1H-indole?
The InChIKey is KSLOHQJPBPQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-6-11-17-14-7-8-15-13(12-14)9-10-16-15/h7-10,12,16H,2-6,11H2,1H3.
What are the key properties of 5-heptoxy-1H-indole?
5-heptoxy-1H-indole has a molecular weight of 231.34 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptoxy-1H-indole is sourced from PubChem (CID 80642434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).