3-(2-chloro-2-naphthalen-1-ylethyl)thiophene

C16H13ClS — CID 63520029

IUPAC3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
SMILESClC(Cc1ccsc1)c1cccc2ccccc12
InChIInChI=1S/C16H13ClS/c17-16(10-12-8-9-18-11-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-9,11,16H,10H2
InChIKeyHBOXFGAMGQTEEU-UHFFFAOYSA-N
MW272.80 g/mol
LogP5.42
Rot. Bonds3

About 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene

3-(2-chloro-2-naphthalen-1-ylethyl)thiophene (PubChem CID 63520029) has the molecular formula C16H13ClS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene.

Molecular Properties

Compound Name3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
PubChem CID63520029
Molecular FormulaC16H13ClS
Molecular Weight272.80 g/mol
Exact Mass272.04
IUPAC Name3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
SMILESClC(Cc1ccsc1)c1cccc2ccccc12
InChIInChI=1S/C16H13ClS/c17-16(10-12-8-9-18-11-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-9,11,16H,10H2
InChIKeyHBOXFGAMGQTEEU-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.80
LogP ≤ 55.42
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

3-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79205323
1-isoquinolin-4-yl-2-thiophen-3-ylethanol
CID 104504569
(1-naphthalen-1-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105213252
N-(1-naphthalen-1-ylethyl)-2-thiophen-3-ylacetamide
CID 51151768
2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
CID 107965730
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369
2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 79454130
3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
CID 63016253
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
3-(1-chloro-2-thiophen-3-ylethyl)-2,4,5-trimethylfuran
CID 65152447
(1-isoquinolin-8-yl-2-thiophen-3-ylethyl)hydrazine
CID 103141500

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene?
The IUPAC name of 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene (CID 63520029) is 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene.
What is the SMILES notation for 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene?
The canonical SMILES for 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene is ClC(Cc1ccsc1)c1cccc2ccccc12.
What is the InChIKey of 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene?
The InChIKey is HBOXFGAMGQTEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClS/c17-16(10-12-8-9-18-11-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-9,11,16H,10H2.
What are the key properties of 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene?
3-(2-chloro-2-naphthalen-1-ylethyl)thiophene has a molecular weight of 272.80 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-2-naphthalen-1-ylethyl)thiophene is sourced from PubChem (CID 63520029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).