2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene

C18H19Cl — CID 106893771

IUPAC2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1ccc(C)c(C(Cl)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19Cl/c1-12-7-8-13(2)17(9-12)18(19)16-10-14-5-3-4-6-15(14)11-16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyIIIQKQQXBMMVNY-UHFFFAOYSA-N
MW270.80 g/mol
LogP5.00
Rot. Bonds2

About 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene

2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 106893771) has the molecular formula C18H19Cl and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID106893771
Molecular FormulaC18H19Cl
Molecular Weight270.80 g/mol
Exact Mass270.12
IUPAC Name2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1ccc(C)c(C(Cl)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H19Cl/c1-12-7-8-13(2)17(9-12)18(19)16-10-14-5-3-4-6-15(14)11-16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyIIIQKQQXBMMVNY-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[chloro-(2,5-dimethylphenyl)methyl]-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

2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
3-[chloro-(2,5-dimethylphenyl)methyl]oxolane
CID 61276891
2,3-dihydro-1H-inden-2-yl-(2,4-dimethylphenyl)methanol
CID 65410977
2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893940
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
CID 106893999
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 107477400
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
[1-(2,3-dihydro-1H-inden-2-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105234118

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene (CID 106893771) is 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene is Cc1ccc(C)c(C(Cl)C2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is IIIQKQQXBMMVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl/c1-12-7-8-13(2)17(9-12)18(19)16-10-14-5-3-4-6-15(14)11-16/h3-9,16,18H,10-11H2,1-2H3.
What are the key properties of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene?
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 270.80 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 106893771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).