5,7-dichloro-2-propan-2-yl-1H-indole

C11H11Cl2N — CID 164776982

IUPAC5,7-dichloro-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C11H11Cl2N/c1-6(2)10-4-7-3-8(12)5-9(13)11(7)14-10/h3-6,14H,1-2H3
InChIKeySMAGSUVTHXMFEJ-UHFFFAOYSA-N
MW228.12 g/mol
LogP4.60
Rot. Bonds1

About 5,7-dichloro-2-propan-2-yl-1H-indole

5,7-dichloro-2-propan-2-yl-1H-indole (PubChem CID 164776982) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is 5,7-dichloro-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-2-propan-2-yl-1H-indole
PubChem CID164776982
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Name5,7-dichloro-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C11H11Cl2N/c1-6(2)10-4-7-3-8(12)5-9(13)11(7)14-10/h3-6,14H,1-2H3
InChIKeySMAGSUVTHXMFEJ-UHFFFAOYSA-N
XLogP4.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-2-propan-2-yl-1H-indole
CID 83637222
6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
CID 107628024
(5,7-dichloro-1H-indol-2-yl)methanol
CID 135387634
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496
1-(7-chloro-1H-indol-2-yl)ethanamine
CID 65333202
3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
CID 83868222
7-chloro-4-methoxy-2-propan-2-yl-1H-indole
CID 83642855
1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
CID 82269510
2-methyl-7-propan-2-yl-8H-thieno[3,2-g]indole
CID 70937708
2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 14535950
4,6,7-trifluoro-2-propan-2-yl-1H-indole
CID 163372867
1-(6-chloro-7-methyl-1H-indol-2-yl)ethanamine
CID 83868177

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-propan-2-yl-1H-indole?
The IUPAC name of 5,7-dichloro-2-propan-2-yl-1H-indole (CID 164776982) is 5,7-dichloro-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5,7-dichloro-2-propan-2-yl-1H-indole?
The canonical SMILES for 5,7-dichloro-2-propan-2-yl-1H-indole is CC(C)c1cc2cc(Cl)cc(Cl)c2[nH]1.
What is the InChIKey of 5,7-dichloro-2-propan-2-yl-1H-indole?
The InChIKey is SMAGSUVTHXMFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N/c1-6(2)10-4-7-3-8(12)5-9(13)11(7)14-10/h3-6,14H,1-2H3.
What are the key properties of 5,7-dichloro-2-propan-2-yl-1H-indole?
5,7-dichloro-2-propan-2-yl-1H-indole has a molecular weight of 228.12 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-propan-2-yl-1H-indole is sourced from PubChem (CID 164776982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).