3-(1-chloroethyl)-3-methyl-1,2-dihydroindene

C12H15Cl — CID 175734944

IUPAC3-(1-chloroethyl)-3-methyl-1,2-dihydroindene
SMILESCC(Cl)C1(C)CCc2ccccc21
InChIInChI=1S/C12H15Cl/c1-9(13)12(2)8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyGTJIJDZXBSKHQT-UHFFFAOYSA-N
MW194.71 g/mol
LogP3.52
Rot. Bonds1

About 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene

3-(1-chloroethyl)-3-methyl-1,2-dihydroindene (PubChem CID 175734944) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene.

Molecular Properties

Compound Name3-(1-chloroethyl)-3-methyl-1,2-dihydroindene
PubChem CID175734944
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name3-(1-chloroethyl)-3-methyl-1,2-dihydroindene
SMILESCC(Cl)C1(C)CCc2ccccc21
InChIInChI=1S/C12H15Cl/c1-9(13)12(2)8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyGTJIJDZXBSKHQT-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
CID 138978133
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
3-chloro-3-fluoro-1,2-dihydroindene
CID 13405902
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene?
The IUPAC name of 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene (CID 175734944) is 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene.
What is the SMILES notation for 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene?
The canonical SMILES for 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene is CC(Cl)C1(C)CCc2ccccc21.
What is the InChIKey of 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene?
The InChIKey is GTJIJDZXBSKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-9(13)12(2)8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene?
3-(1-chloroethyl)-3-methyl-1,2-dihydroindene has a molecular weight of 194.71 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-3-methyl-1,2-dihydroindene is sourced from PubChem (CID 175734944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).