1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol

C16H18ClFOS — CID 115983428

IUPAC1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2cccc(F)c2Cl)s1
InChIInChI=1S/C16H18ClFOS/c1-16(2,3)14-8-7-13(20-14)12(19)9-10-5-4-6-11(18)15(10)17/h4-8,12,19H,9H2,1-3H3
InChIKeyGJMFQDDIZBVRAJ-UHFFFAOYSA-N
MW312.84 g/mol
LogP5.11
Rot. Bonds3

About 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol

1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 115983428) has the molecular formula C16H18ClFOS and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID115983428
Molecular FormulaC16H18ClFOS
Molecular Weight312.84 g/mol
Exact Mass312.08
IUPAC Name1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2cccc(F)c2Cl)s1
InChIInChI=1S/C16H18ClFOS/c1-16(2,3)14-8-7-13(20-14)12(19)9-10-5-4-6-11(18)15(10)17/h4-8,12,19H,9H2,1-3H3
InChIKeyGJMFQDDIZBVRAJ-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653460
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053
2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105124092
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 115983428) is 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol is CC(C)(C)c1ccc(C(O)Cc2cccc(F)c2Cl)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is GJMFQDDIZBVRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFOS/c1-16(2,3)14-8-7-13(20-14)12(19)9-10-5-4-6-11(18)15(10)17/h4-8,12,19H,9H2,1-3H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol has a molecular weight of 312.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 115983428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).