2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene

C16H12Cl2S — CID 63519147

IUPAC2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
SMILESClc1ccccc1CC(Cl)c1cc2ccccc2s1
InChIInChI=1S/C16H12Cl2S/c17-13-7-3-1-5-11(13)9-14(18)16-10-12-6-2-4-8-15(12)19-16/h1-8,10,14H,9H2
InChIKeyXIZYHYICDPKRTR-UHFFFAOYSA-N
MW307.25 g/mol
LogP6.08
Rot. Bonds3

About 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene

2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene (PubChem CID 63519147) has the molecular formula C16H12Cl2S and a molecular weight of 307.25 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
PubChem CID63519147
Molecular FormulaC16H12Cl2S
Molecular Weight307.25 g/mol
Exact Mass306.00
IUPAC Name2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
SMILESClc1ccccc1CC(Cl)c1cc2ccccc2s1
InChIInChI=1S/C16H12Cl2S/c17-13-7-3-1-5-11(13)9-14(18)16-10-12-6-2-4-8-15(12)19-16/h1-8,10,14H,9H2
InChIKeyXIZYHYICDPKRTR-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.25
LogP ≤ 56.08
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

1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
[1-(1-benzothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868587
2-[1-chloro-2-(3-methoxyphenyl)ethyl]-1-benzothiophene
CID 63544035
2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
CID 81104818
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
2-[1-chloro-2-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261787
4-[2-(1-benzothiophen-2-yl)-2-bromoethyl]-3-chloropyridine
CID 112656160
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene?
The IUPAC name of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene (CID 63519147) is 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene.
What is the SMILES notation for 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene?
The canonical SMILES for 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene is Clc1ccccc1CC(Cl)c1cc2ccccc2s1.
What is the InChIKey of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene?
The InChIKey is XIZYHYICDPKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2S/c17-13-7-3-1-5-11(13)9-14(18)16-10-12-6-2-4-8-15(12)19-16/h1-8,10,14H,9H2.
What are the key properties of 2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene?
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene has a molecular weight of 307.25 g/mol, XLogP of 6.08, 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-chlorophenyl)ethyl]-1-benzothiophene is sourced from PubChem (CID 63519147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).