2-(2,6-dichlorophenyl)ethanol

C8H8Cl2O — CID 2734100

IUPAC2-(2,6-dichlorophenyl)ethanol
SMILESOCCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2
InChIKeyZBQPKQUIKJDGIX-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,6-dichlorophenyl)ethanol

2-(2,6-dichlorophenyl)ethanol (PubChem CID 2734100) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)ethanol
PubChem CID2734100
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name2-(2,6-dichlorophenyl)ethanol
SMILESOCCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2
InChIKeyZBQPKQUIKJDGIX-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)ethanol (CID 2734100) is 2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)ethanol is OCCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)ethanol?
The InChIKey is ZBQPKQUIKJDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2.
What are the key properties of 2-(2,6-dichlorophenyl)ethanol?
2-(2,6-dichlorophenyl)ethanol has a molecular weight of 191.06 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 2734100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).