1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol

C12H14Cl2O — CID 65321223

IUPAC1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCC1
InChIInChI=1S/C12H14Cl2O/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8,12,15H,1-3,7H2
InChIKeyHINJOACEKUJHLW-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.70
Rot. Bonds3

About 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol

1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol (PubChem CID 65321223) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
PubChem CID65321223
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCC1
InChIInChI=1S/C12H14Cl2O/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8,12,15H,1-3,7H2
InChIKeyHINJOACEKUJHLW-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
CID 64515130
2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
CID 112569673
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801998

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol (CID 65321223) is 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is HINJOACEKUJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8,12,15H,1-3,7H2.
What are the key properties of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol?
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 245.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 65321223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).