2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol

C12H12ClFO2 — CID 102654646

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)C1=CCCO1
InChIInChI=1S/C12H12ClFO2/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h2-4,7,11,15H,1,5-6H2
InChIKeyZKWCWDUNCLHRDE-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.69
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol

2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol (PubChem CID 102654646) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
PubChem CID102654646
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)C1=CCCO1
InChIInChI=1S/C12H12ClFO2/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h2-4,7,11,15H,1,5-6H2
InChIKeyZKWCWDUNCLHRDE-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol (CID 102654646) is 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol is OC(Cc1ccc(F)cc1Cl)C1=CCCO1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
The InChIKey is ZKWCWDUNCLHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h2-4,7,11,15H,1,5-6H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol has a molecular weight of 242.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol is sourced from PubChem (CID 102654646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).