5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene

C19H20Cl2 — CID 66048824

IUPAC5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESClCC(Cc1ccc2c(c1)CCC2)Cc1ccccc1Cl
InChIInChI=1S/C19H20Cl2/c20-13-15(12-18-4-1-2-7-19(18)21)10-14-8-9-16-5-3-6-17(16)11-14/h1-2,4,7-9,11,15H,3,5-6,10,12-13H2
InChIKeyAUISCXQGZKCTTA-UHFFFAOYSA-N
MW319.27 g/mol
LogP5.47
Rot. Bonds5

About 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene

5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene (PubChem CID 66048824) has the molecular formula C19H20Cl2 and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene
PubChem CID66048824
Molecular FormulaC19H20Cl2
Molecular Weight319.27 g/mol
Exact Mass318.09
IUPAC Name5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESClCC(Cc1ccc2c(c1)CCC2)Cc1ccccc1Cl
InChIInChI=1S/C19H20Cl2/c20-13-15(12-18-4-1-2-7-19(18)21)10-14-8-9-16-5-3-6-17(16)11-14/h1-2,4,7-9,11,15H,3,5-6,10,12-13H2
InChIKeyAUISCXQGZKCTTA-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.27
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
CID 66033857
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 66048162
[1-(2,6-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310708
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
[1-(3-chloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 103445912
[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324133
4-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-chloro-1-fluorobenzene
CID 103042082
1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 66142351
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene (CID 66048824) is 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene is ClCC(Cc1ccc2c(c1)CCC2)Cc1ccccc1Cl.
What is the InChIKey of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene?
The InChIKey is AUISCXQGZKCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2/c20-13-15(12-18-4-1-2-7-19(18)21)10-14-8-9-16-5-3-6-17(16)11-14/h1-2,4,7-9,11,15H,3,5-6,10,12-13H2.
What are the key properties of 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene?
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene has a molecular weight of 319.27 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 66048824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).