(5S)-5-phenyl-1,4-dioxan-2-one

C10H10O3 — CID 101083967

IUPAC(5S)-5-phenyl-1,4-dioxan-2-one
SMILESO=C1CO[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H10O3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyISMJDTGDJASKHW-SECBINFHSA-N
MW178.19 g/mol
LogP1.30
Rot. Bonds1

About (5S)-5-phenyl-1,4-dioxan-2-one

(5S)-5-phenyl-1,4-dioxan-2-one (PubChem CID 101083967) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (5S)-5-phenyl-1,4-dioxan-2-one.

Molecular Properties

Compound Name(5S)-5-phenyl-1,4-dioxan-2-one
PubChem CID101083967
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(5S)-5-phenyl-1,4-dioxan-2-one
SMILESO=C1CO[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H10O3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyISMJDTGDJASKHW-SECBINFHSA-N
XLogP1.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyloxirane
CID 7276
4-phenyl-1,3-dioxolan-2-one
CID 160714565
ethane;2-phenyloxirane
CID 54171856
6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one
CID 157296266
(3R,4aS,8aS)-3-phenyl-3,4a,8,8a-tetrahydro-2H-pyrano[2,3-b][1,4]dioxin-7-one
CID 162410186
(2R,5S)-5-phenyl-1,4-dioxane-2-carboxylic acid
CID 53350289
4,6-diphenyloxan-2-one
CID 78061466
(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
CID 10921184
5-phenyloxolan-2-one
CID 13884
4-methylidene-2-phenyloxolane
CID 11084168
(4R,5R)-5-methyl-4-phenyloxan-2-one
CID 10607707
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912

Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenyl-1,4-dioxan-2-one?
The IUPAC name of (5S)-5-phenyl-1,4-dioxan-2-one (CID 101083967) is (5S)-5-phenyl-1,4-dioxan-2-one.
What is the SMILES notation for (5S)-5-phenyl-1,4-dioxan-2-one?
The canonical SMILES for (5S)-5-phenyl-1,4-dioxan-2-one is O=C1CO[C@@H](c2ccccc2)CO1.
What is the InChIKey of (5S)-5-phenyl-1,4-dioxan-2-one?
The InChIKey is ISMJDTGDJASKHW-SECBINFHSA-N. The full InChI is InChI=1S/C10H10O3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1.
What are the key properties of (5S)-5-phenyl-1,4-dioxan-2-one?
(5S)-5-phenyl-1,4-dioxan-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenyl-1,4-dioxan-2-one is sourced from PubChem (CID 101083967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).