(2R)-2-(4-chlorophenyl)oxan-4-one

C11H11ClO2 — CID 131855614

IUPAC(2R)-2-(4-chlorophenyl)oxan-4-one
SMILESO=C1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,11H,5-7H2/t11-/m1/s1
InChIKeyASVVKEDQPRIYBV-LLVKDONJSA-N
MW210.66 g/mol
LogP2.76
Rot. Bonds1

About (2R)-2-(4-chlorophenyl)oxan-4-one

(2R)-2-(4-chlorophenyl)oxan-4-one (PubChem CID 131855614) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)oxan-4-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)oxan-4-one
PubChem CID131855614
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(2R)-2-(4-chlorophenyl)oxan-4-one
SMILESO=C1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,11H,5-7H2/t11-/m1/s1
InChIKeyASVVKEDQPRIYBV-LLVKDONJSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-ethylphenyl)oxan-4-one
CID 45094741
2-(6-bromo-3-pyridinyl)oxan-4-one
CID 172993602
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
2-(2-chloropyrimidin-4-yl)oxan-4-one
CID 172992594
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
CID 10987505
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
[(2S,4R)-2-(4-chlorophenyl)oxan-4-yl] acetate
CID 16735602
4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one
CID 11499565
2-(4-amino-2-pyridinyl)oxan-4-one
CID 172993047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)oxan-4-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)oxan-4-one (CID 131855614) is (2R)-2-(4-chlorophenyl)oxan-4-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)oxan-4-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)oxan-4-one is O=C1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)oxan-4-one?
The InChIKey is ASVVKEDQPRIYBV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,11H,5-7H2/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)oxan-4-one?
(2R)-2-(4-chlorophenyl)oxan-4-one has a molecular weight of 210.66 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)oxan-4-one is sourced from PubChem (CID 131855614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).