(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one

C11H9ClO2 — CID 10987505

IUPAC(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-6,11H,7H2/t11-/m1/s1
InChIKeyWFZKKRQMSKMLNT-LLVKDONJSA-N
MW208.64 g/mol
LogP2.88
Rot. Bonds1

About (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one

(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one (PubChem CID 10987505) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
PubChem CID10987505
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-6,11H,7H2/t11-/m1/s1
InChIKeyWFZKKRQMSKMLNT-LLVKDONJSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one (CID 10987505) is (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one is O=C1C=CO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one?
The InChIKey is WFZKKRQMSKMLNT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-6,11H,7H2/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one?
(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one has a molecular weight of 208.64 g/mol, XLogP of 2.88, 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)-2,3-dihydropyran-4-one is sourced from PubChem (CID 10987505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).