3,5-dichloro-1-propan-2-ylindole

C11H11Cl2N — CID 166553086

IUPAC3,5-dichloro-1-propan-2-ylindole
SMILESCC(C)n1cc(Cl)c2cc(Cl)ccc21
InChIInChI=1S/C11H11Cl2N/c1-7(2)14-6-10(13)9-5-8(12)3-4-11(9)14/h3-7H,1-2H3
InChIKeyWCKNVMOAPFHDJS-UHFFFAOYSA-N
MW228.12 g/mol
LogP4.53
Rot. Bonds1

About 3,5-dichloro-1-propan-2-ylindole

3,5-dichloro-1-propan-2-ylindole (PubChem CID 166553086) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is 3,5-dichloro-1-propan-2-ylindole.

Molecular Properties

Compound Name3,5-dichloro-1-propan-2-ylindole
PubChem CID166553086
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Name3,5-dichloro-1-propan-2-ylindole
SMILESCC(C)n1cc(Cl)c2cc(Cl)ccc21
InChIInChI=1S/C11H11Cl2N/c1-7(2)14-6-10(13)9-5-8(12)3-4-11(9)14/h3-7H,1-2H3
InChIKeyWCKNVMOAPFHDJS-UHFFFAOYSA-N
XLogP4.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-propan-2-ylindole?
The IUPAC name of 3,5-dichloro-1-propan-2-ylindole (CID 166553086) is 3,5-dichloro-1-propan-2-ylindole.
What is the SMILES notation for 3,5-dichloro-1-propan-2-ylindole?
The canonical SMILES for 3,5-dichloro-1-propan-2-ylindole is CC(C)n1cc(Cl)c2cc(Cl)ccc21.
What is the InChIKey of 3,5-dichloro-1-propan-2-ylindole?
The InChIKey is WCKNVMOAPFHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N/c1-7(2)14-6-10(13)9-5-8(12)3-4-11(9)14/h3-7H,1-2H3.
What are the key properties of 3,5-dichloro-1-propan-2-ylindole?
3,5-dichloro-1-propan-2-ylindole has a molecular weight of 228.12 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-propan-2-ylindole is sourced from PubChem (CID 166553086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).