2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene

C14H15ClS — CID 81157528

IUPAC2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene
SMILESCc1cccc(C(Cl)c2sc(C)cc2C)c1
InChIInChI=1S/C14H15ClS/c1-9-5-4-6-12(7-9)13(15)14-10(2)8-11(3)16-14/h4-8,13H,1-3H3
InChIKeyQLZUCUOHKVTUGK-UHFFFAOYSA-N
MW250.79 g/mol
LogP5.00
Rot. Bonds2

About 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene

2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene (PubChem CID 81157528) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene
PubChem CID81157528
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene
SMILESCc1cccc(C(Cl)c2sc(C)cc2C)c1
InChIInChI=1S/C14H15ClS/c1-9-5-4-6-12(7-9)13(15)14-10(2)8-11(3)16-14/h4-8,13H,1-3H3
InChIKeyQLZUCUOHKVTUGK-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.79
LogP ≤ 55.00
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

2-[(3-bromo-4-methylphenyl)-chloromethyl]-3,5-dimethylthiophene
CID 81476170
2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 107992088
2-[(3-bromo-4-chlorophenyl)-chloromethyl]-3,5-dimethylthiophene
CID 107992087
3-[chloro-(3,5-dimethylthiophen-2-yl)methyl]furan
CID 81158093
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
2-[chloro-(2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81157986
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
2-[1-bromo-2-(3-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81157821
3-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-5-methylthiophene
CID 65278713
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 81155614
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene?
The IUPAC name of 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene (CID 81157528) is 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene.
What is the SMILES notation for 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene?
The canonical SMILES for 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene is Cc1cccc(C(Cl)c2sc(C)cc2C)c1.
What is the InChIKey of 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene?
The InChIKey is QLZUCUOHKVTUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c1-9-5-4-6-12(7-9)13(15)14-10(2)8-11(3)16-14/h4-8,13H,1-3H3.
What are the key properties of 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene?
2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene has a molecular weight of 250.79 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene is sourced from PubChem (CID 81157528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).