benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate

C18H15ClO4S — CID 10067240

IUPACbenzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate
SMILESO=C1CC[C@@](Sc2ccc(Cl)cc2)(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C18H15ClO4S/c19-14-6-8-15(9-7-14)24-18(11-10-16(20)23-18)17(21)22-12-13-4-2-1-3-5-13/h1-9H,10-12H2/t18-/m1/s1
InChIKeySHQHTLHTZDQKDK-GOSISDBHSA-N
MW362.83 g/mol
LogP4.21
Rot. Bonds5

About benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate

benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate (PubChem CID 10067240) has the molecular formula C18H15ClO4S and a molecular weight of 362.83 g/mol. Its IUPAC name is benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate
PubChem CID10067240
Molecular FormulaC18H15ClO4S
Molecular Weight362.83 g/mol
Exact Mass362.04
IUPAC Namebenzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate
SMILESO=C1CC[C@@](Sc2ccc(Cl)cc2)(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C18H15ClO4S/c19-14-6-8-15(9-7-14)24-18(11-10-16(20)23-18)17(21)22-12-13-4-2-1-3-5-13/h1-9H,10-12H2/t18-/m1/s1
InChIKeySHQHTLHTZDQKDK-GOSISDBHSA-N
XLogP4.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate?
The IUPAC name of benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate (CID 10067240) is benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate?
The canonical SMILES for benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate is O=C1CC[C@@](Sc2ccc(Cl)cc2)(C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate?
The InChIKey is SHQHTLHTZDQKDK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15ClO4S/c19-14-6-8-15(9-7-14)24-18(11-10-16(20)23-18)17(21)22-12-13-4-2-1-3-5-13/h1-9H,10-12H2/t18-/m1/s1.
What are the key properties of benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate?
benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate has a molecular weight of 362.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(4-chlorophenyl)sulfanyl-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 10067240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).