1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole

C19H20ClNO2 — CID 110830948

IUPAC1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2CCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-2-22-18-8-9-19-15(14-18)10-12-21(19)11-3-13-23-17-6-4-16(20)5-7-17/h4-10,12,14H,2-3,11,13H2,1H3
InChIKeyOINJQYAWCIEUJT-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.16
Rot. Bonds7

About 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole

1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole (PubChem CID 110830948) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
PubChem CID110830948
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2CCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-2-22-18-8-9-19-15(14-18)10-12-21(19)11-3-13-23-17-6-4-16(20)5-7-17/h4-10,12,14H,2-3,11,13H2,1H3
InChIKeyOINJQYAWCIEUJT-UHFFFAOYSA-N
XLogP5.16
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 55.16
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-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole (CID 110830948) is 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole is CCOc1ccc2c(ccn2CCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole?
The InChIKey is OINJQYAWCIEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-2-22-18-8-9-19-15(14-18)10-12-21(19)11-3-13-23-17-6-4-16(20)5-7-17/h4-10,12,14H,2-3,11,13H2,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole?
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole has a molecular weight of 329.83 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole is sourced from PubChem (CID 110830948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).