2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

C15H14ClFOS — CID 103043664

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H14ClFOS/c16-11-6-9(4-5-12(11)17)7-13(18)15-8-10-2-1-3-14(10)19-15/h4-6,8,13,18H,1-3,7H2
InChIKeyZSNWDOQWRSQDKR-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.31
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (PubChem CID 103043664) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
PubChem CID103043664
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H14ClFOS/c16-11-6-9(4-5-12(11)17)7-13(18)15-8-10-2-1-3-14(10)19-15/h4-6,8,13,18H,1-3,7H2
InChIKeyZSNWDOQWRSQDKR-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (CID 103043664) is 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is OC(Cc1ccc(F)c(Cl)c1)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The InChIKey is ZSNWDOQWRSQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFOS/c16-11-6-9(4-5-12(11)17)7-13(18)15-8-10-2-1-3-14(10)19-15/h4-6,8,13,18H,1-3,7H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol has a molecular weight of 296.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is sourced from PubChem (CID 103043664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).