4-(chloromethyl)-2,3-dihydro-1H-indene

C10H11Cl — CID 15562322

IUPAC4-(chloromethyl)-2,3-dihydro-1H-indene
SMILESClCc1cccc2c1CCC2
InChIInChI=1S/C10H11Cl/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5H,2,4,6-7H2
InChIKeyBZLIAEVSPAPOPT-UHFFFAOYSA-N
MW166.65 g/mol
LogP2.91
Rot. Bonds1

About 4-(chloromethyl)-2,3-dihydro-1H-indene

4-(chloromethyl)-2,3-dihydro-1H-indene (PubChem CID 15562322) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 4-(chloromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(chloromethyl)-2,3-dihydro-1H-indene
PubChem CID15562322
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name4-(chloromethyl)-2,3-dihydro-1H-indene
SMILESClCc1cccc2c1CCC2
InChIInChI=1S/C10H11Cl/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5H,2,4,6-7H2
InChIKeyBZLIAEVSPAPOPT-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 52.91
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 4-(chloromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-(chloromethyl)-2,3-dihydro-1H-indene (CID 15562322) is 4-(chloromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(chloromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(chloromethyl)-2,3-dihydro-1H-indene is ClCc1cccc2c1CCC2.
What is the InChIKey of 4-(chloromethyl)-2,3-dihydro-1H-indene?
The InChIKey is BZLIAEVSPAPOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5H,2,4,6-7H2.
What are the key properties of 4-(chloromethyl)-2,3-dihydro-1H-indene?
4-(chloromethyl)-2,3-dihydro-1H-indene has a molecular weight of 166.65 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 15562322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).