(4S,5S)-5-chloro-4-phenyl-1,3-dioxane

C10H11ClO2 — CID 95562202

IUPAC(4S,5S)-5-chloro-4-phenyl-1,3-dioxane
SMILESCl[C@H]1COCO[C@H]1c1ccccc1
InChIInChI=1S/C10H11ClO2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1
InChIKeyOPNBZWUBRPHXOR-UWVGGRQHSA-N
MW198.65 g/mol
LogP2.34
Rot. Bonds1

About (4S,5S)-5-chloro-4-phenyl-1,3-dioxane

(4S,5S)-5-chloro-4-phenyl-1,3-dioxane (PubChem CID 95562202) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (4S,5S)-5-chloro-4-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,5S)-5-chloro-4-phenyl-1,3-dioxane
PubChem CID95562202
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(4S,5S)-5-chloro-4-phenyl-1,3-dioxane
SMILESCl[C@H]1COCO[C@H]1c1ccccc1
InChIInChI=1S/C10H11ClO2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1
InChIKeyOPNBZWUBRPHXOR-UWVGGRQHSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.34
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

(4S,5R)-5-chloro-4-phenyl-1,3-dioxane
CID 71370550
(4R,5R)-4-phenyl-1,3-dioxan-5-amine
CID 11116629
4-bromo-5-phenyl-1,3-dioxolane
CID 69060625
2-phenyloxirane
CID 7276
4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol
CID 11831593
1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one
CID 110176915
2-(oxiran-2-yl)-3-phenyloxirane
CID 87255492
ethane;2-phenyloxirane
CID 54171856
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-chloro-4-phenyl-1,3-dioxane?
The IUPAC name of (4S,5S)-5-chloro-4-phenyl-1,3-dioxane (CID 95562202) is (4S,5S)-5-chloro-4-phenyl-1,3-dioxane.
What is the SMILES notation for (4S,5S)-5-chloro-4-phenyl-1,3-dioxane?
The canonical SMILES for (4S,5S)-5-chloro-4-phenyl-1,3-dioxane is Cl[C@H]1COCO[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-5-chloro-4-phenyl-1,3-dioxane?
The InChIKey is OPNBZWUBRPHXOR-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-5-chloro-4-phenyl-1,3-dioxane?
(4S,5S)-5-chloro-4-phenyl-1,3-dioxane has a molecular weight of 198.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-chloro-4-phenyl-1,3-dioxane is sourced from PubChem (CID 95562202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).