1-chloro-2,2,4-trimethyl-1,3-dihydroindene

C12H15Cl — CID 55264296

IUPAC1-chloro-2,2,4-trimethyl-1,3-dihydroindene
SMILESCc1cccc2c1CC(C)(C)C2Cl
InChIInChI=1S/C12H15Cl/c1-8-5-4-6-9-10(8)7-12(2,3)11(9)13/h4-6,11H,7H2,1-3H3
InChIKeyKUSAKLVLPQKCTA-UHFFFAOYSA-N
MW194.70 g/mol
LogP3.86
Rot. Bonds

About 1-chloro-2,2,4-trimethyl-1,3-dihydroindene

1-chloro-2,2,4-trimethyl-1,3-dihydroindene (PubChem CID 55264296) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-chloro-2,2,4-trimethyl-1,3-dihydroindene.

Molecular Properties

Compound Name1-chloro-2,2,4-trimethyl-1,3-dihydroindene
PubChem CID55264296
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name1-chloro-2,2,4-trimethyl-1,3-dihydroindene
SMILESCc1cccc2c1CC(C)(C)C2Cl
InChIInChI=1S/C12H15Cl/c1-8-5-4-6-9-10(8)7-12(2,3)11(9)13/h4-6,11H,7H2,1-3H3
InChIKeyKUSAKLVLPQKCTA-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 53.86
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-2,2,4-trimethyl-1,3-dihydroindene?
The IUPAC name of 1-chloro-2,2,4-trimethyl-1,3-dihydroindene (CID 55264296) is 1-chloro-2,2,4-trimethyl-1,3-dihydroindene.
What is the SMILES notation for 1-chloro-2,2,4-trimethyl-1,3-dihydroindene?
The canonical SMILES for 1-chloro-2,2,4-trimethyl-1,3-dihydroindene is Cc1cccc2c1CC(C)(C)C2Cl.
What is the InChIKey of 1-chloro-2,2,4-trimethyl-1,3-dihydroindene?
The InChIKey is KUSAKLVLPQKCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-8-5-4-6-9-10(8)7-12(2,3)11(9)13/h4-6,11H,7H2,1-3H3.
What are the key properties of 1-chloro-2,2,4-trimethyl-1,3-dihydroindene?
1-chloro-2,2,4-trimethyl-1,3-dihydroindene has a molecular weight of 194.70 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2,4-trimethyl-1,3-dihydroindene is sourced from PubChem (CID 55264296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).