(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one

C14H16O3 — CID 57342184

IUPAC(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@]1(Cc2ccccc2)C(=O)OC[C@H]1O
InChIInChI=1S/C14H16O3/c1-2-8-14(12(15)10-17-13(14)16)9-11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2/t12-,14-/m1/s1
InChIKeyCPIHUTCQDWJHTO-TZMCWYRMSA-N
MW232.28 g/mol
LogP1.71
Rot. Bonds4

About (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one

(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one (PubChem CID 57342184) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
PubChem CID57342184
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@]1(Cc2ccccc2)C(=O)OC[C@H]1O
InChIInChI=1S/C14H16O3/c1-2-8-14(12(15)10-17-13(14)16)9-11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2/t12-,14-/m1/s1
InChIKeyCPIHUTCQDWJHTO-TZMCWYRMSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(3S,5R)-3,4-dibenzyl-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-one
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CID 14636618
(3S,4S)-3-methyl-4-[(1S)-1-phenylprop-2-enyl]-3-prop-2-enyloxolan-2-one
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(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
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4-benzyl-4-(difluoromethyl)-2-ethenyl-1,3-oxazolidin-5-one
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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one?
The IUPAC name of (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one (CID 57342184) is (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one.
What is the SMILES notation for (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one?
The canonical SMILES for (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one is C=CC[C@]1(Cc2ccccc2)C(=O)OC[C@H]1O.
What is the InChIKey of (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one?
The InChIKey is CPIHUTCQDWJHTO-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-8-14(12(15)10-17-13(14)16)9-11-6-4-3-5-7-11/h2-7,12,15H,1,8-10H2/t12-,14-/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one?
(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one is sourced from PubChem (CID 57342184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).