2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene

C15H17ClS — CID 79975785

IUPAC2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
SMILESCCc1ccsc1C(Cl)c1cc(C)ccc1C
InChIInChI=1S/C15H17ClS/c1-4-12-7-8-17-15(12)14(16)13-9-10(2)5-6-11(13)3/h5-9,14H,4H2,1-3H3
InChIKeyFLAPYPHGTHFHSV-UHFFFAOYSA-N
MW264.82 g/mol
LogP5.26
Rot. Bonds3

About 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene

2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene (PubChem CID 79975785) has the molecular formula C15H17ClS and a molecular weight of 264.82 g/mol. Its IUPAC name is 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene.

Molecular Properties

Compound Name2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
PubChem CID79975785
Molecular FormulaC15H17ClS
Molecular Weight264.82 g/mol
Exact Mass264.07
IUPAC Name2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
SMILESCCc1ccsc1C(Cl)c1cc(C)ccc1C
InChIInChI=1S/C15H17ClS/c1-4-12-7-8-17-15(12)14(16)13-9-10(2)5-6-11(13)3/h5-9,14H,4H2,1-3H3
InChIKeyFLAPYPHGTHFHSV-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.82
LogP ≤ 55.26
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-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene
CID 79975271
3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
2-[bromo-(3,4-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975064
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115484530
2-[(5-bromo-2-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 80530319
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
CID 80530635

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene?
The IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene (CID 79975785) is 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene.
What is the SMILES notation for 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene?
The canonical SMILES for 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene is CCc1ccsc1C(Cl)c1cc(C)ccc1C.
What is the InChIKey of 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene?
The InChIKey is FLAPYPHGTHFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClS/c1-4-12-7-8-17-15(12)14(16)13-9-10(2)5-6-11(13)3/h5-9,14H,4H2,1-3H3.
What are the key properties of 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene?
2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene has a molecular weight of 264.82 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene is sourced from PubChem (CID 79975785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).