3-chloro-5-methyl-4-propan-2-yl-1H-indole

C12H14ClN — CID 164840063

IUPAC3-chloro-5-methyl-4-propan-2-yl-1H-indole
SMILESCc1ccc2[nH]cc(Cl)c2c1C(C)C
InChIInChI=1S/C12H14ClN/c1-7(2)11-8(3)4-5-10-12(11)9(13)6-14-10/h4-7,14H,1-3H3
InChIKeyLYRWWIGBVCDDBH-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.25
Rot. Bonds1

About 3-chloro-5-methyl-4-propan-2-yl-1H-indole

3-chloro-5-methyl-4-propan-2-yl-1H-indole (PubChem CID 164840063) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-chloro-5-methyl-4-propan-2-yl-1H-indole
PubChem CID164840063
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name3-chloro-5-methyl-4-propan-2-yl-1H-indole
SMILESCc1ccc2[nH]cc(Cl)c2c1C(C)C
InChIInChI=1S/C12H14ClN/c1-7(2)11-8(3)4-5-10-12(11)9(13)6-14-10/h4-7,14H,1-3H3
InChIKeyLYRWWIGBVCDDBH-UHFFFAOYSA-N
XLogP4.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-propan-2-yl-1H-indole?
The IUPAC name of 3-chloro-5-methyl-4-propan-2-yl-1H-indole (CID 164840063) is 3-chloro-5-methyl-4-propan-2-yl-1H-indole.
What is the SMILES notation for 3-chloro-5-methyl-4-propan-2-yl-1H-indole?
The canonical SMILES for 3-chloro-5-methyl-4-propan-2-yl-1H-indole is Cc1ccc2[nH]cc(Cl)c2c1C(C)C.
What is the InChIKey of 3-chloro-5-methyl-4-propan-2-yl-1H-indole?
The InChIKey is LYRWWIGBVCDDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-7(2)11-8(3)4-5-10-12(11)9(13)6-14-10/h4-7,14H,1-3H3.
What are the key properties of 3-chloro-5-methyl-4-propan-2-yl-1H-indole?
3-chloro-5-methyl-4-propan-2-yl-1H-indole has a molecular weight of 207.70 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-propan-2-yl-1H-indole is sourced from PubChem (CID 164840063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).