2-(1-chloro-2-phenylethyl)-5-ethylthiophene

C14H15ClS — CID 63430993

IUPAC2-(1-chloro-2-phenylethyl)-5-ethylthiophene
SMILESCCc1ccc(C(Cl)Cc2ccccc2)s1
InChIInChI=1S/C14H15ClS/c1-2-12-8-9-14(16-12)13(15)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3
InChIKeyOYACXAOKNKTDTO-UHFFFAOYSA-N
MW250.79 g/mol
LogP4.83
Rot. Bonds4

About 2-(1-chloro-2-phenylethyl)-5-ethylthiophene

2-(1-chloro-2-phenylethyl)-5-ethylthiophene (PubChem CID 63430993) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-(1-chloro-2-phenylethyl)-5-ethylthiophene.

Molecular Properties

Compound Name2-(1-chloro-2-phenylethyl)-5-ethylthiophene
PubChem CID63430993
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-(1-chloro-2-phenylethyl)-5-ethylthiophene
SMILESCCc1ccc(C(Cl)Cc2ccccc2)s1
InChIInChI=1S/C14H15ClS/c1-2-12-8-9-14(16-12)13(15)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3
InChIKeyOYACXAOKNKTDTO-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 54.83
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-ethylthiophene
CID 63430769
2-(2-benzyl-3-chloropropyl)-5-ethylthiophene
CID 66036527
2-benzhydryl-5-ethylthiophene
CID 177490577
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774
1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
CID 43104997
[2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105287843
2-(1-chloro-2-methylpentyl)-5-ethylthiophene
CID 63431274

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-phenylethyl)-5-ethylthiophene?
The IUPAC name of 2-(1-chloro-2-phenylethyl)-5-ethylthiophene (CID 63430993) is 2-(1-chloro-2-phenylethyl)-5-ethylthiophene.
What is the SMILES notation for 2-(1-chloro-2-phenylethyl)-5-ethylthiophene?
The canonical SMILES for 2-(1-chloro-2-phenylethyl)-5-ethylthiophene is CCc1ccc(C(Cl)Cc2ccccc2)s1.
What is the InChIKey of 2-(1-chloro-2-phenylethyl)-5-ethylthiophene?
The InChIKey is OYACXAOKNKTDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c1-2-12-8-9-14(16-12)13(15)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3.
What are the key properties of 2-(1-chloro-2-phenylethyl)-5-ethylthiophene?
2-(1-chloro-2-phenylethyl)-5-ethylthiophene has a molecular weight of 250.79 g/mol, XLogP of 4.83, 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-phenylethyl)-5-ethylthiophene is sourced from PubChem (CID 63430993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).