4-chloro-1-(2-propoxyethyl)indole

C13H16ClNO — CID 106458079

IUPAC4-chloro-1-(2-propoxyethyl)indole
SMILESCCCOCCn1ccc2c(Cl)cccc21
InChIInChI=1S/C13H16ClNO/c1-2-9-16-10-8-15-7-6-11-12(14)4-3-5-13(11)15/h3-7H,2,8-10H2,1H3
InChIKeyWFCDJKDJLSNYAR-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.72
Rot. Bonds5

About 4-chloro-1-(2-propoxyethyl)indole

4-chloro-1-(2-propoxyethyl)indole (PubChem CID 106458079) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-chloro-1-(2-propoxyethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(2-propoxyethyl)indole
PubChem CID106458079
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-chloro-1-(2-propoxyethyl)indole
SMILESCCCOCCn1ccc2c(Cl)cccc21
InChIInChI=1S/C13H16ClNO/c1-2-9-16-10-8-15-7-6-11-12(14)4-3-5-13(11)15/h3-7H,2,8-10H2,1H3
InChIKeyWFCDJKDJLSNYAR-UHFFFAOYSA-N
XLogP3.72
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
CID 116623860
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
4-chloro-1-(3,3-dimethoxypropyl)indole
CID 121393338
4-chloro-1-(3-fluoropropyl)indole
CID 116623866
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
CID 104562950
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
4-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 116623592
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-propoxyethyl)indole?
The IUPAC name of 4-chloro-1-(2-propoxyethyl)indole (CID 106458079) is 4-chloro-1-(2-propoxyethyl)indole.
What is the SMILES notation for 4-chloro-1-(2-propoxyethyl)indole?
The canonical SMILES for 4-chloro-1-(2-propoxyethyl)indole is CCCOCCn1ccc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(2-propoxyethyl)indole?
The InChIKey is WFCDJKDJLSNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-9-16-10-8-15-7-6-11-12(14)4-3-5-13(11)15/h3-7H,2,8-10H2,1H3.
What are the key properties of 4-chloro-1-(2-propoxyethyl)indole?
4-chloro-1-(2-propoxyethyl)indole has a molecular weight of 237.73 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-propoxyethyl)indole is sourced from PubChem (CID 106458079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).