2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

C15H20ClFO — CID 107894346

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2ccc(Cl)c(F)c2)C1(C)C
InChIInChI=1S/C15H20ClFO/c1-14(2)13(15(14,3)4)12(18)8-9-5-6-10(16)11(17)7-9/h5-7,12-13,18H,8H2,1-4H3
InChIKeyOEPUUZPZEICZQR-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (PubChem CID 107894346) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
PubChem CID107894346
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2ccc(Cl)c(F)c2)C1(C)C
InChIInChI=1S/C15H20ClFO/c1-14(2)13(15(14,3)4)12(18)8-9-5-6-10(16)11(17)7-9/h5-7,12-13,18H,8H2,1-4H3
InChIKeyOEPUUZPZEICZQR-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801998
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107005515
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 114012662
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (CID 107894346) is 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is CC1(C)C(C(O)Cc2ccc(Cl)c(F)c2)C1(C)C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The InChIKey is OEPUUZPZEICZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-14(2)13(15(14,3)4)12(18)8-9-5-6-10(16)11(17)7-9/h5-7,12-13,18H,8H2,1-4H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol has a molecular weight of 270.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is sourced from PubChem (CID 107894346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).