2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol

C15H20ClFO — CID 112653481

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
SMILESCCC1CCC(C(O)Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C15H20ClFO/c1-2-10-6-7-11(8-10)14(18)9-12-4-3-5-13(17)15(12)16/h3-5,10-11,14,18H,2,6-9H2,1H3
InChIKeyXELOBSGZLRAMGA-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.21
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol (PubChem CID 112653481) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
PubChem CID112653481
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
SMILESCCC1CCC(C(O)Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C15H20ClFO/c1-2-10-6-7-11(8-10)14(18)9-12-4-3-5-13(17)15(12)16/h3-5,10-11,14,18H,2,6-9H2,1H3
InChIKeyXELOBSGZLRAMGA-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 65410943
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol (CID 112653481) is 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol is CCC1CCC(C(O)Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol?
The InChIKey is XELOBSGZLRAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-2-10-6-7-11(8-10)14(18)9-12-4-3-5-13(17)15(12)16/h3-5,10-11,14,18H,2,6-9H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol has a molecular weight of 270.77 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol is sourced from PubChem (CID 112653481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).