(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one

C13H16O3 — CID 101174342

IUPAC(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
SMILESC[C@H](O)[C@]1(Cc2ccccc2)CCOC1=O
InChIInChI=1S/C13H16O3/c1-10(14)13(7-8-16-12(13)15)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3/t10-,13+/m0/s1
InChIKeyCDGHBGHBUZUTCL-GXFFZTMASA-N
MW220.27 g/mol
LogP1.54
Rot. Bonds3

About (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one

(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one (PubChem CID 101174342) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
PubChem CID101174342
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
SMILESC[C@H](O)[C@]1(Cc2ccccc2)CCOC1=O
InChIInChI=1S/C13H16O3/c1-10(14)13(7-8-16-12(13)15)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3/t10-,13+/m0/s1
InChIKeyCDGHBGHBUZUTCL-GXFFZTMASA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one?
The IUPAC name of (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one (CID 101174342) is (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one?
The canonical SMILES for (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one is C[C@H](O)[C@]1(Cc2ccccc2)CCOC1=O.
What is the InChIKey of (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one?
The InChIKey is CDGHBGHBUZUTCL-GXFFZTMASA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)13(7-8-16-12(13)15)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3/t10-,13+/m0/s1.
What are the key properties of (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one?
(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one is sourced from PubChem (CID 101174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).