5-chloro-2-(propan-2-yloxymethyl)-1H-indole

C12H14ClNO — CID 117176868

IUPAC5-chloro-2-(propan-2-yloxymethyl)-1H-indole
SMILESCC(C)OCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H14ClNO/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,14H,7H2,1-2H3
InChIKeyXRNQARUSZQIQBL-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.75
Rot. Bonds3

About 5-chloro-2-(propan-2-yloxymethyl)-1H-indole

5-chloro-2-(propan-2-yloxymethyl)-1H-indole (PubChem CID 117176868) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 5-chloro-2-(propan-2-yloxymethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(propan-2-yloxymethyl)-1H-indole
PubChem CID117176868
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name5-chloro-2-(propan-2-yloxymethyl)-1H-indole
SMILESCC(C)OCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H14ClNO/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,14H,7H2,1-2H3
InChIKeyXRNQARUSZQIQBL-UHFFFAOYSA-N
XLogP3.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propan-2-yloxymethyl)-1H-indole?
The IUPAC name of 5-chloro-2-(propan-2-yloxymethyl)-1H-indole (CID 117176868) is 5-chloro-2-(propan-2-yloxymethyl)-1H-indole.
What is the SMILES notation for 5-chloro-2-(propan-2-yloxymethyl)-1H-indole?
The canonical SMILES for 5-chloro-2-(propan-2-yloxymethyl)-1H-indole is CC(C)OCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-(propan-2-yloxymethyl)-1H-indole?
The InChIKey is XRNQARUSZQIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 5-chloro-2-(propan-2-yloxymethyl)-1H-indole?
5-chloro-2-(propan-2-yloxymethyl)-1H-indole has a molecular weight of 223.70 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propan-2-yloxymethyl)-1H-indole is sourced from PubChem (CID 117176868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).