2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

C15H20Cl2O — CID 115801998

IUPAC2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2cc(Cl)ccc2Cl)C1(C)C
InChIInChI=1S/C15H20Cl2O/c1-14(2)13(15(14,3)4)12(18)8-9-7-10(16)5-6-11(9)17/h5-7,12-13,18H,8H2,1-4H3
InChIKeyKAOBYOKTTXPEOE-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.58
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (PubChem CID 115801998) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
PubChem CID115801998
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2cc(Cl)ccc2Cl)C1(C)C
InChIInChI=1S/C15H20Cl2O/c1-14(2)13(15(14,3)4)12(18)8-9-7-10(16)5-6-11(9)17/h5-7,12-13,18H,8H2,1-4H3
InChIKeyKAOBYOKTTXPEOE-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 114982036
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801925
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (CID 115801998) is 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is CC1(C)C(C(O)Cc2cc(Cl)ccc2Cl)C1(C)C.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The InChIKey is KAOBYOKTTXPEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c1-14(2)13(15(14,3)4)12(18)8-9-7-10(16)5-6-11(9)17/h5-7,12-13,18H,8H2,1-4H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol has a molecular weight of 287.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is sourced from PubChem (CID 115801998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).