2-(3,4-dichlorophenyl)oxan-4-ol

C11H12Cl2O2 — CID 10966823

IUPAC2-(3,4-dichlorophenyl)oxan-4-ol
SMILESOC1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-7(5-10(9)13)11-6-8(14)3-4-15-11/h1-2,5,8,11,14H,3-4,6H2
InChIKeyADQOHEICKZUEMZ-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.21
Rot. Bonds1

About 2-(3,4-dichlorophenyl)oxan-4-ol

2-(3,4-dichlorophenyl)oxan-4-ol (PubChem CID 10966823) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)oxan-4-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)oxan-4-ol
PubChem CID10966823
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name2-(3,4-dichlorophenyl)oxan-4-ol
SMILESOC1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-7(5-10(9)13)11-6-8(14)3-4-15-11/h1-2,5,8,11,14H,3-4,6H2
InChIKeyADQOHEICKZUEMZ-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)oxan-4-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)oxan-4-ol (CID 10966823) is 2-(3,4-dichlorophenyl)oxan-4-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)oxan-4-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)oxan-4-ol is OC1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)oxan-4-ol?
The InChIKey is ADQOHEICKZUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-2-1-7(5-10(9)13)11-6-8(14)3-4-15-11/h1-2,5,8,11,14H,3-4,6H2.
What are the key properties of 2-(3,4-dichlorophenyl)oxan-4-ol?
2-(3,4-dichlorophenyl)oxan-4-ol has a molecular weight of 247.12 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)oxan-4-ol is sourced from PubChem (CID 10966823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).