2-(4-tert-butylphenyl)-4-chlorothiophene

C14H15ClS — CID 91355397

IUPAC2-(4-tert-butylphenyl)-4-chlorothiophene
SMILESCC(C)(C)c1ccc(-c2cc(Cl)cs2)cc1
InChIInChI=1S/C14H15ClS/c1-14(2,3)11-6-4-10(5-7-11)13-8-12(15)9-16-13/h4-9H,1-3H3
InChIKeyLWEKVSZIOVZCTC-UHFFFAOYSA-N
MW250.79 g/mol
LogP5.37
Rot. Bonds1

About 2-(4-tert-butylphenyl)-4-chlorothiophene

2-(4-tert-butylphenyl)-4-chlorothiophene (PubChem CID 91355397) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-chlorothiophene.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-chlorothiophene
PubChem CID91355397
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-(4-tert-butylphenyl)-4-chlorothiophene
SMILESCC(C)(C)c1ccc(-c2cc(Cl)cs2)cc1
InChIInChI=1S/C14H15ClS/c1-14(2,3)11-6-4-10(5-7-11)13-8-12(15)9-16-13/h4-9H,1-3H3
InChIKeyLWEKVSZIOVZCTC-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.79
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Methylphenyl)thiophene
CID 4128466
3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide
CID 494170
2-Allylsulfanyl-5-(4-chlorophenyl)-3-(trifluoromethyl)thiophene
CID 129708949
2-Methyl-3-phenylthiophene
CID 2775308
3-(4-Methylphenyl)thiophene
CID 4130347
Thiophene, 2-[(4-methylphenyl)methyl]-
CID 10845308
2-(4-Chlorophenyl)thiophene
CID 11971655
2-(3-Chlorophenyl)thiophene
CID 12362444
3-(4-Methylbenzyl)thiophene
CID 13901937
2-Benzyl-5-chlorothiophene
CID 14043781
2-Chloro-5-phenylthiophene
CID 15531095
3-Chloro-2,5-diphenylthiophene
CID 25270072

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-chlorothiophene?
The IUPAC name of 2-(4-tert-butylphenyl)-4-chlorothiophene (CID 91355397) is 2-(4-tert-butylphenyl)-4-chlorothiophene.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-chlorothiophene?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-chlorothiophene is CC(C)(C)c1ccc(-c2cc(Cl)cs2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-chlorothiophene?
The InChIKey is LWEKVSZIOVZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c1-14(2,3)11-6-4-10(5-7-11)13-8-12(15)9-16-13/h4-9H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-chlorothiophene?
2-(4-tert-butylphenyl)-4-chlorothiophene has a molecular weight of 250.79 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-chlorothiophene is sourced from PubChem (CID 91355397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).