4-(2-chlorophenyl)oxan-4-ol

C11H13ClO2 — CID 63220219

IUPAC4-(2-chlorophenyl)oxan-4-ol
SMILESOC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C11H13ClO2/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2
InChIKeyUFXPXWMPDJOZQT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.34
Rot. Bonds1

About 4-(2-chlorophenyl)oxan-4-ol

4-(2-chlorophenyl)oxan-4-ol (PubChem CID 63220219) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-chlorophenyl)oxan-4-ol
PubChem CID63220219
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name4-(2-chlorophenyl)oxan-4-ol
SMILESOC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C11H13ClO2/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2
InChIKeyUFXPXWMPDJOZQT-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)oxan-4-ol?
The IUPAC name of 4-(2-chlorophenyl)oxan-4-ol (CID 63220219) is 4-(2-chlorophenyl)oxan-4-ol.
What is the SMILES notation for 4-(2-chlorophenyl)oxan-4-ol?
The canonical SMILES for 4-(2-chlorophenyl)oxan-4-ol is OC1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)oxan-4-ol?
The InChIKey is UFXPXWMPDJOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2.
What are the key properties of 4-(2-chlorophenyl)oxan-4-ol?
4-(2-chlorophenyl)oxan-4-ol has a molecular weight of 212.68 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)oxan-4-ol is sourced from PubChem (CID 63220219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).