1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole

C20H23NO4 — CID 141115136

IUPAC1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
SMILESCOc1cc(OCCCn2ccc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-22-18-13-16(14-19(23-2)20(18)24-3)25-12-6-10-21-11-9-15-7-4-5-8-17(15)21/h4-5,7-9,11,13-14H,6,10,12H2,1-3H3
InChIKeyPJJLCYPVJAIPGD-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.14
Rot. Bonds8

About 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole

1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole (PubChem CID 141115136) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole.

Molecular Properties

Compound Name1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
PubChem CID141115136
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
SMILESCOc1cc(OCCCn2ccc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-22-18-13-16(14-19(23-2)20(18)24-3)25-12-6-10-21-11-9-15-7-4-5-8-17(15)21/h4-5,7-9,11,13-14H,6,10,12H2,1-3H3
InChIKeyPJJLCYPVJAIPGD-UHFFFAOYSA-N
XLogP4.14
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile
CID 11162092
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
1-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]indole
CID 11247248
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-iodopropyl)indole
CID 11323600
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-fluoropropyl)indole
CID 81113690
1-(2-fluoroethyl)indole
CID 80694500

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole?
The IUPAC name of 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole (CID 141115136) is 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole.
What is the SMILES notation for 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole?
The canonical SMILES for 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole is COc1cc(OCCCn2ccc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole?
The InChIKey is PJJLCYPVJAIPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-22-18-13-16(14-19(23-2)20(18)24-3)25-12-6-10-21-11-9-15-7-4-5-8-17(15)21/h4-5,7-9,11,13-14H,6,10,12H2,1-3H3.
What are the key properties of 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole?
1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole has a molecular weight of 341.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole is sourced from PubChem (CID 141115136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).