2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene

C15H17ClS — CID 63430769

IUPAC2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)Cc2ccccc2C)s1
InChIInChI=1S/C15H17ClS/c1-3-13-8-9-15(17-13)14(16)10-12-7-5-4-6-11(12)2/h4-9,14H,3,10H2,1-2H3
InChIKeyWDAOJJSCXXWQCX-UHFFFAOYSA-N
MW264.82 g/mol
LogP5.14
Rot. Bonds4

About 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene

2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene (PubChem CID 63430769) has the molecular formula C15H17ClS and a molecular weight of 264.82 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
PubChem CID63430769
Molecular FormulaC15H17ClS
Molecular Weight264.82 g/mol
Exact Mass264.07
IUPAC Name2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)Cc2ccccc2C)s1
InChIInChI=1S/C15H17ClS/c1-3-13-8-9-15(17-13)14(16)10-12-7-5-4-6-11(12)2/h4-9,14H,3,10H2,1-2H3
InChIKeyWDAOJJSCXXWQCX-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.82
LogP ≤ 55.14
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-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609
2-(1-chloro-2-phenylethyl)-5-ethylthiophene
CID 63430993
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran
CID 79084572
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918
2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
CID 61082521
2-[chloro-(4-fluorophenyl)methyl]-5-ethylthiophene
CID 63431184
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 63544235
2-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79424431
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
CID 81324476

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene?
The IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene (CID 63430769) is 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene.
What is the SMILES notation for 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene?
The canonical SMILES for 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene is CCc1ccc(C(Cl)Cc2ccccc2C)s1.
What is the InChIKey of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene?
The InChIKey is WDAOJJSCXXWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClS/c1-3-13-8-9-15(17-13)14(16)10-12-7-5-4-6-11(12)2/h4-9,14H,3,10H2,1-2H3.
What are the key properties of 2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene?
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene has a molecular weight of 264.82 g/mol, XLogP of 5.14, 4 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]-5-ethylthiophene is sourced from PubChem (CID 63430769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).