1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene

C13H17Cl — CID 79725425

IUPAC1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene
SMILESCCCC1c2ccccc2C(Cl)C1C
InChIInChI=1S/C13H17Cl/c1-3-6-10-9(2)13(14)12-8-5-4-7-11(10)12/h4-5,7-10,13H,3,6H2,1-2H3
InChIKeyNKEPXOGNXMOQER-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.50
Rot. Bonds2

About 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene

1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene (PubChem CID 79725425) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene
PubChem CID79725425
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene
SMILESCCCC1c2ccccc2C(Cl)C1C
InChIInChI=1S/C13H17Cl/c1-3-6-10-9(2)13(14)12-8-5-4-7-11(10)12/h4-5,7-10,13H,3,6H2,1-2H3
InChIKeyNKEPXOGNXMOQER-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene (CID 79725425) is 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene is CCCC1c2ccccc2C(Cl)C1C.
What is the InChIKey of 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene?
The InChIKey is NKEPXOGNXMOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-3-6-10-9(2)13(14)12-8-5-4-7-11(10)12/h4-5,7-10,13H,3,6H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene?
1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene has a molecular weight of 208.73 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-propyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 79725425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).