3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene

C15H17ClS — CID 66049250

IUPAC3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
SMILESCc1ccccc1CC(CCl)Cc1ccsc1
InChIInChI=1S/C15H17ClS/c1-12-4-2-3-5-15(12)9-14(10-16)8-13-6-7-17-11-13/h2-7,11,14H,8-10H2,1H3
InChIKeyDMFHOXYZRFPOOQ-UHFFFAOYSA-N
MW264.82 g/mol
LogP4.70
Rot. Bonds5

About 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene

3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene (PubChem CID 66049250) has the molecular formula C15H17ClS and a molecular weight of 264.82 g/mol. Its IUPAC name is 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene.

Molecular Properties

Compound Name3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
PubChem CID66049250
Molecular FormulaC15H17ClS
Molecular Weight264.82 g/mol
Exact Mass264.07
IUPAC Name3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
SMILESCc1ccccc1CC(CCl)Cc1ccsc1
InChIInChI=1S/C15H17ClS/c1-12-4-2-3-5-15(12)9-14(10-16)8-13-6-7-17-11-13/h2-7,11,14H,8-10H2,1H3
InChIKeyDMFHOXYZRFPOOQ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
3-[2-(chloromethyl)pentyl]thiophene
CID 66036116
1-bromo-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049032
3-[4-chloro-3-(chloromethyl)butyl]thiophene
CID 79448287
3-(2-ethylbutyl)thiophene
CID 89133993
2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine
CID 62514400
3-[3-[(4-bromophenyl)methyl]-4-chlorobutyl]thiophene
CID 66035727
4-bromo-5-[2-(chloromethyl)-3-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 66048595
1-[2-(chloromethyl)-3-methylbutyl]-2-methylbenzene
CID 66036572

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene?
The IUPAC name of 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene (CID 66049250) is 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene.
What is the SMILES notation for 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene?
The canonical SMILES for 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene is Cc1ccccc1CC(CCl)Cc1ccsc1.
What is the InChIKey of 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene?
The InChIKey is DMFHOXYZRFPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClS/c1-12-4-2-3-5-15(12)9-14(10-16)8-13-6-7-17-11-13/h2-7,11,14H,8-10H2,1H3.
What are the key properties of 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene?
3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene has a molecular weight of 264.82 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene is sourced from PubChem (CID 66049250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).