(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one

C11H12O3 — CID 95735266

IUPAC(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one
SMILESO=C1O[C@@H](O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H12O3/c12-10-7-9(11(13)14-10)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m0/s1
InChIKeyGDCBPTYCEJZHQJ-VHSXEESVSA-N
MW192.21 g/mol
LogP1.11
Rot. Bonds2

About (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one

(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one (PubChem CID 95735266) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one
PubChem CID95735266
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one
SMILESO=C1O[C@@H](O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H12O3/c12-10-7-9(11(13)14-10)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m0/s1
InChIKeyGDCBPTYCEJZHQJ-VHSXEESVSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(ethoxymethyl)oxolan-2-one
CID 12815720
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CID 54208749
(8S)-8-amino-10-benzyl-1,6-dioxacycloundecane-2,5,7,11-tetrone
CID 174780555
(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one
CID 131853660
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CID 54588510
4-benzyl-5-oxopyrrolidine-2-carboxylic acid
CID 14504092
(3R,5R)-3,5-dibenzylthiolan-2-one
CID 129383083
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
3-benzyl-5-methylthiolan-2-one
CID 13249649
(3S,5S)-3-benzyl-5-methylthiolan-2-one
CID 71408438
3-benzyloxan-4-one
CID 58654175
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CID 13297886

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one?
The IUPAC name of (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one (CID 95735266) is (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one.
What is the SMILES notation for (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one?
The canonical SMILES for (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one is O=C1O[C@@H](O)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one?
The InChIKey is GDCBPTYCEJZHQJ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-7-9(11(13)14-10)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m0/s1.
What are the key properties of (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one?
(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-benzyl-5-hydroxyoxolan-2-one is sourced from PubChem (CID 95735266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).