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

C15H20ClFO — CID 102867504

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
SMILESCCC1(C(O)Cc2cccc(Cl)c2F)CCCC1
InChIInChI=1S/C15H20ClFO/c1-2-15(8-3-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7,13,18H,2-4,8-10H2,1H3
InChIKeyPZPDZAZRJKGHCG-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds4

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

2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol (PubChem CID 102867504) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
PubChem CID102867504
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
SMILESCCC1(C(O)Cc2cccc(Cl)c2F)CCCC1
InChIInChI=1S/C15H20ClFO/c1-2-15(8-3-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7,13,18H,2-4,8-10H2,1H3
InChIKeyPZPDZAZRJKGHCG-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 102867488
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 102867147
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115831198
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
2-(3-chloro-2-fluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 102857419
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol (CID 102867504) is 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol is CCC1(C(O)Cc2cccc(Cl)c2F)CCCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol?
The InChIKey is PZPDZAZRJKGHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-2-15(8-3-4-9-15)13(18)10-11-6-5-7-12(16)14(11)17/h5-7,13,18H,2-4,8-10H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol has a molecular weight of 270.77 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol is sourced from PubChem (CID 102867504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).