2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene

C15H14Cl2S — CID 106893999

IUPAC2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2Cc3ccccc3C2)sc1Cl
InChIInChI=1S/C15H14Cl2S/c1-9-6-13(18-15(9)17)14(16)12-7-10-4-2-3-5-11(10)8-12/h2-6,12,14H,7-8H2,1H3
InChIKeyDMKYCXRETNPCMZ-UHFFFAOYSA-N
MW297.25 g/mol
LogP5.40
Rot. Bonds2

About 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene

2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene (PubChem CID 106893999) has the molecular formula C15H14Cl2S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
PubChem CID106893999
Molecular FormulaC15H14Cl2S
Molecular Weight297.25 g/mol
Exact Mass296.02
IUPAC Name2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2Cc3ccccc3C2)sc1Cl
InChIInChI=1S/C15H14Cl2S/c1-9-6-13(18-15(9)17)14(16)12-7-10-4-2-3-5-11(10)8-12/h2-6,12,14H,7-8H2,1H3
InChIKeyDMKYCXRETNPCMZ-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.25
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene 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

1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126590
2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 102764819
2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
CID 102764774
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(chloro)methyl]-3-bromo-2-chlorothiophene
CID 102836582
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 102764052
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
5-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-chloro-3-methylthiophene
CID 102764636
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
CID 103166064
2-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 79991267
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
CID 102764740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene (CID 106893999) is 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene is Cc1cc(C(Cl)C2Cc3ccccc3C2)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene?
The InChIKey is DMKYCXRETNPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2S/c1-9-6-13(18-15(9)17)14(16)12-7-10-4-2-3-5-11(10)8-12/h2-6,12,14H,7-8H2,1H3.
What are the key properties of 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene?
2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene has a molecular weight of 297.25 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 106893999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).