2-[(2,6-dichlorophenyl)methoxy]ethanol

C9H10Cl2O2 — CID 13341669

IUPAC2-[(2,6-dichlorophenyl)methoxy]ethanol
SMILESOCCOCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2O2/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3,12H,4-6H2
InChIKeyMCVIDUDFKDIJMZ-UHFFFAOYSA-N
MW221.08 g/mol
LogP2.50
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methoxy]ethanol

2-[(2,6-dichlorophenyl)methoxy]ethanol (PubChem CID 13341669) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxy]ethanol
PubChem CID13341669
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name2-[(2,6-dichlorophenyl)methoxy]ethanol
SMILESOCCOCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2O2/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3,12H,4-6H2
InChIKeyMCVIDUDFKDIJMZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]ethanol?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]ethanol (CID 13341669) is 2-[(2,6-dichlorophenyl)methoxy]ethanol.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxy]ethanol?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxy]ethanol is OCCOCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxy]ethanol?
The InChIKey is MCVIDUDFKDIJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3,12H,4-6H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methoxy]ethanol?
2-[(2,6-dichlorophenyl)methoxy]ethanol has a molecular weight of 221.08 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methoxy]ethanol is sourced from PubChem (CID 13341669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).