5-chloro-1-(2-propan-2-yloxyethyl)indole

C13H16ClNO — CID 116623109

IUPAC5-chloro-1-(2-propan-2-yloxyethyl)indole
SMILESCC(C)OCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c1-10(2)16-8-7-15-6-5-11-9-12(14)3-4-13(11)15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMEPHVDAUDHPZMZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-1-(2-propan-2-yloxyethyl)indole

5-chloro-1-(2-propan-2-yloxyethyl)indole (PubChem CID 116623109) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 5-chloro-1-(2-propan-2-yloxyethyl)indole.

Molecular Properties

Compound Name5-chloro-1-(2-propan-2-yloxyethyl)indole
PubChem CID116623109
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name5-chloro-1-(2-propan-2-yloxyethyl)indole
SMILESCC(C)OCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c1-10(2)16-8-7-15-6-5-11-9-12(14)3-4-13(11)15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMEPHVDAUDHPZMZ-UHFFFAOYSA-N
XLogP3.72
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-propan-2-yloxyethyl)indole?
The IUPAC name of 5-chloro-1-(2-propan-2-yloxyethyl)indole (CID 116623109) is 5-chloro-1-(2-propan-2-yloxyethyl)indole.
What is the SMILES notation for 5-chloro-1-(2-propan-2-yloxyethyl)indole?
The canonical SMILES for 5-chloro-1-(2-propan-2-yloxyethyl)indole is CC(C)OCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-propan-2-yloxyethyl)indole?
The InChIKey is MEPHVDAUDHPZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-10(2)16-8-7-15-6-5-11-9-12(14)3-4-13(11)15/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-chloro-1-(2-propan-2-yloxyethyl)indole?
5-chloro-1-(2-propan-2-yloxyethyl)indole has a molecular weight of 237.73 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-propan-2-yloxyethyl)indole is sourced from PubChem (CID 116623109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).