2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol

C12H14Cl2O2 — CID 65331137

IUPAC2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)C1CCCO1
InChIInChI=1S/C12H14Cl2O2/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1,3-4,11-12,15H,2,5-7H2
InChIKeyDFDRXVISKWWGCE-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.08
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol

2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol (PubChem CID 65331137) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
PubChem CID65331137
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)C1CCCO1
InChIInChI=1S/C12H14Cl2O2/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1,3-4,11-12,15H,2,5-7H2
InChIKeyDFDRXVISKWWGCE-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
CID 130921302
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
2-(furan-3-yl)-1-(oxolan-2-yl)ethanol
CID 83172570
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol (CID 65331137) is 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol is OC(Cc1c(Cl)cccc1Cl)C1CCCO1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol?
The InChIKey is DFDRXVISKWWGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1,3-4,11-12,15H,2,5-7H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol?
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol has a molecular weight of 261.15 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65331137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).