(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide

C8H7ClO3S — CID 15273377

IUPAC(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OC[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C8H7ClO3S/c9-7-3-1-6(2-4-7)8-5-11-13(10)12-8/h1-4,8H,5H2/t8-,13?/m0/s1
InChIKeyVUOVJQXUIICXSK-OADYLZGLSA-N
MW218.66 g/mol
LogP2.01
Rot. Bonds1

About (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide

(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide (PubChem CID 15273377) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide
PubChem CID15273377
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OC[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C8H7ClO3S/c9-7-3-1-6(2-4-7)8-5-11-13(10)12-8/h1-4,8H,5H2/t8-,13?/m0/s1
InChIKeyVUOVJQXUIICXSK-OADYLZGLSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
(2R,4R,8R)-2-(4-chlorophenyl)-1-oxa-4lambda4,8lambda4-dithiaspiro[2.5]octane 4,8-dioxide
CID 10589628
3-(4-chlorophenyl)oxetane
CID 130113875
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane
CID 23253730
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
(2R)-2-(4-chlorophenyl)oxan-4-one
CID 131855614
(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
CID 10987505
4-(4-chlorophenyl)-2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533408
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one
CID 50903546
5-(4-chlorophenyl)oxolane-3-carbonitrile
CID 139520495
(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 10704329

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide (CID 15273377) is (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide is O=S1OC[C@@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide?
The InChIKey is VUOVJQXUIICXSK-OADYLZGLSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-7-3-1-6(2-4-7)8-5-11-13(10)12-8/h1-4,8H,5H2/t8-,13?/m0/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide?
(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide has a molecular weight of 218.66 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 15273377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).