2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene

C14H15ClS — CID 63544235

IUPAC2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
SMILESCc1ccccc1CC(Cl)c1sccc1C
InChIInChI=1S/C14H15ClS/c1-10-5-3-4-6-12(10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9H2,1-2H3
InChIKeySJLWOYNYOZCTTR-UHFFFAOYSA-N
MW250.79 g/mol
LogP4.89
Rot. Bonds3

About 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene

2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene (PubChem CID 63544235) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
PubChem CID63544235
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
SMILESCc1ccccc1CC(Cl)c1sccc1C
InChIInChI=1S/C14H15ClS/c1-10-5-3-4-6-12(10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9H2,1-2H3
InChIKeySJLWOYNYOZCTTR-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 54.89
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-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene
CID 63531439
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
CID 63430769
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
[1-(3-methoxythiophen-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285283
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene?
The IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene (CID 63544235) is 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene.
What is the SMILES notation for 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene?
The canonical SMILES for 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene is Cc1ccccc1CC(Cl)c1sccc1C.
What is the InChIKey of 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene?
The InChIKey is SJLWOYNYOZCTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c1-10-5-3-4-6-12(10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9H2,1-2H3.
What are the key properties of 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene?
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene has a molecular weight of 250.79 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene is sourced from PubChem (CID 63544235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).