1,4-dibutoxyindole

C16H23NO2 — CID 67591447

IUPAC1,4-dibutoxyindole
SMILESCCCCOc1cccc2c1ccn2OCCCC
InChIInChI=1S/C16H23NO2/c1-3-5-12-18-16-9-7-8-15-14(16)10-11-17(15)19-13-6-4-2/h7-11H,3-6,12-13H2,1-2H3
InChIKeyZKRLOULCEKZNKT-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.05
Rot. Bonds8

About 1,4-dibutoxyindole

1,4-dibutoxyindole (PubChem CID 67591447) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1,4-dibutoxyindole.

Molecular Properties

Compound Name1,4-dibutoxyindole
PubChem CID67591447
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1,4-dibutoxyindole
SMILESCCCCOc1cccc2c1ccn2OCCCC
InChIInChI=1S/C16H23NO2/c1-3-5-12-18-16-9-7-8-15-14(16)10-11-17(15)19-13-6-4-2/h7-11H,3-6,12-13H2,1-2H3
InChIKeyZKRLOULCEKZNKT-UHFFFAOYSA-N
XLogP4.05
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxynaphthalene
CID 13262700
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
4-(4-butoxyindol-1-yl)-N-cyclohexylpyrimidin-2-amine
CID 143892911
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
5-butoxynaphthalen-1-amine
CID 67167958
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-dibutoxynaphthalene
CID 22016411
2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine
CID 104523346
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutoxyindole?
The IUPAC name of 1,4-dibutoxyindole (CID 67591447) is 1,4-dibutoxyindole.
What is the SMILES notation for 1,4-dibutoxyindole?
The canonical SMILES for 1,4-dibutoxyindole is CCCCOc1cccc2c1ccn2OCCCC.
What is the InChIKey of 1,4-dibutoxyindole?
The InChIKey is ZKRLOULCEKZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-12-18-16-9-7-8-15-14(16)10-11-17(15)19-13-6-4-2/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of 1,4-dibutoxyindole?
1,4-dibutoxyindole has a molecular weight of 261.36 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutoxyindole is sourced from PubChem (CID 67591447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).