(5S,6R)-5-chloro-6-phenyloxan-2-one

C11H11ClO2 — CID 102192941

IUPAC(5S,6R)-5-chloro-6-phenyloxan-2-one
SMILESO=C1CC[C@H](Cl)[C@@H](c2ccccc2)O1
InChIInChI=1S/C11H11ClO2/c12-9-6-7-10(13)14-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-,11+/m0/s1
InChIKeyGMMURRYNZVLTQU-GXSJLCMTSA-N
MW210.66 g/mol
LogP2.67
Rot. Bonds1

About (5S,6R)-5-chloro-6-phenyloxan-2-one

(5S,6R)-5-chloro-6-phenyloxan-2-one (PubChem CID 102192941) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (5S,6R)-5-chloro-6-phenyloxan-2-one.

Molecular Properties

Compound Name(5S,6R)-5-chloro-6-phenyloxan-2-one
PubChem CID102192941
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(5S,6R)-5-chloro-6-phenyloxan-2-one
SMILESO=C1CC[C@H](Cl)[C@@H](c2ccccc2)O1
InChIInChI=1S/C11H11ClO2/c12-9-6-7-10(13)14-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-,11+/m0/s1
InChIKeyGMMURRYNZVLTQU-GXSJLCMTSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-phenyloxolan-2-one
CID 13884
5-phenyloxocane-2,8-dione
CID 83888033
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
(1S,6R,8R,9S)-9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
CID 163191443
(5S,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)oxan-2-one
CID 129153630
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
3-chloro-5-phenyloxolan-2-one
CID 3018341
(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one
CID 15665870
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
(5S,6R)-5,6-diphenylmorpholin-2-one
CID 10354905
5,6-diphenylmorpholin-2-one
CID 23365117
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-chloro-6-phenyloxan-2-one?
The IUPAC name of (5S,6R)-5-chloro-6-phenyloxan-2-one (CID 102192941) is (5S,6R)-5-chloro-6-phenyloxan-2-one.
What is the SMILES notation for (5S,6R)-5-chloro-6-phenyloxan-2-one?
The canonical SMILES for (5S,6R)-5-chloro-6-phenyloxan-2-one is O=C1CC[C@H](Cl)[C@@H](c2ccccc2)O1.
What is the InChIKey of (5S,6R)-5-chloro-6-phenyloxan-2-one?
The InChIKey is GMMURRYNZVLTQU-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-6-7-10(13)14-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-,11+/m0/s1.
What are the key properties of (5S,6R)-5-chloro-6-phenyloxan-2-one?
(5S,6R)-5-chloro-6-phenyloxan-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-chloro-6-phenyloxan-2-one is sourced from PubChem (CID 102192941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).