4-methoxy-1-(3-phenoxypropyl)indole

C18H19NO2 — CID 83165816

IUPAC4-methoxy-1-(3-phenoxypropyl)indole
SMILESCOc1cccc2c1ccn2CCCOc1ccccc1
InChIInChI=1S/C18H19NO2/c1-20-18-10-5-9-17-16(18)11-13-19(17)12-6-14-21-15-7-3-2-4-8-15/h2-5,7-11,13H,6,12,14H2,1H3
InChIKeyPLTHAIYHLJPKSL-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.12
Rot. Bonds6

About 4-methoxy-1-(3-phenoxypropyl)indole

4-methoxy-1-(3-phenoxypropyl)indole (PubChem CID 83165816) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methoxy-1-(3-phenoxypropyl)indole.

Molecular Properties

Compound Name4-methoxy-1-(3-phenoxypropyl)indole
PubChem CID83165816
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-methoxy-1-(3-phenoxypropyl)indole
SMILESCOc1cccc2c1ccn2CCCOc1ccccc1
InChIInChI=1S/C18H19NO2/c1-20-18-10-5-9-17-16(18)11-13-19(17)12-6-14-21-15-7-3-2-4-8-15/h2-5,7-11,13H,6,12,14H2,1H3
InChIKeyPLTHAIYHLJPKSL-UHFFFAOYSA-N
XLogP4.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.12
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

4-fluoro-1-(3-phenoxypropyl)indole
CID 82792007
1-heptyl-4-methoxyindole
CID 83174164
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
CID 141115136
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-phenoxypropyl)indole?
The IUPAC name of 4-methoxy-1-(3-phenoxypropyl)indole (CID 83165816) is 4-methoxy-1-(3-phenoxypropyl)indole.
What is the SMILES notation for 4-methoxy-1-(3-phenoxypropyl)indole?
The canonical SMILES for 4-methoxy-1-(3-phenoxypropyl)indole is COc1cccc2c1ccn2CCCOc1ccccc1.
What is the InChIKey of 4-methoxy-1-(3-phenoxypropyl)indole?
The InChIKey is PLTHAIYHLJPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-18-10-5-9-17-16(18)11-13-19(17)12-6-14-21-15-7-3-2-4-8-15/h2-5,7-11,13H,6,12,14H2,1H3.
What are the key properties of 4-methoxy-1-(3-phenoxypropyl)indole?
4-methoxy-1-(3-phenoxypropyl)indole has a molecular weight of 281.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-phenoxypropyl)indole is sourced from PubChem (CID 83165816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).