2-(3-chloro-4-fluorophenyl)oxan-4-ol

C11H12ClFO2 — CID 81159599

IUPAC2-(3-chloro-4-fluorophenyl)oxan-4-ol
SMILESOC1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H12ClFO2/c12-9-5-7(1-2-10(9)13)11-6-8(14)3-4-15-11/h1-2,5,8,11,14H,3-4,6H2
InChIKeyZQWRFHDJSLRDMA-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.69
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)oxan-4-ol

2-(3-chloro-4-fluorophenyl)oxan-4-ol (PubChem CID 81159599) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)oxan-4-ol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)oxan-4-ol
PubChem CID81159599
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name2-(3-chloro-4-fluorophenyl)oxan-4-ol
SMILESOC1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H12ClFO2/c12-9-5-7(1-2-10(9)13)11-6-8(14)3-4-15-11/h1-2,5,8,11,14H,3-4,6H2
InChIKeyZQWRFHDJSLRDMA-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)oxan-4-ol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)oxan-4-ol (CID 81159599) is 2-(3-chloro-4-fluorophenyl)oxan-4-ol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)oxan-4-ol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)oxan-4-ol is OC1CCOC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)oxan-4-ol?
The InChIKey is ZQWRFHDJSLRDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-9-5-7(1-2-10(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-chloro-4-fluorophenyl)oxan-4-ol?
2-(3-chloro-4-fluorophenyl)oxan-4-ol has a molecular weight of 230.67 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)oxan-4-ol is sourced from PubChem (CID 81159599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).