(3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one

C19H20O3 — CID 10402311

IUPAC(3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one
SMILESO=C1OC[C@@H](CCc2cccc(-c3ccccc3)c2)[C@H]1CO
InChIInChI=1S/C19H20O3/c20-12-18-17(13-22-19(18)21)10-9-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11,17-18,20H,9-10,12-13H2/t17-,18-/m1/s1
InChIKeyYSHGIFKIVOARLN-QZTJIDSGSA-N
MW296.37 g/mol
LogP3.07
Rot. Bonds5

About (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one

(3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one (PubChem CID 10402311) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one
PubChem CID10402311
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one
SMILESO=C1OC[C@@H](CCc2cccc(-c3ccccc3)c2)[C@H]1CO
InChIInChI=1S/C19H20O3/c20-12-18-17(13-22-19(18)21)10-9-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11,17-18,20H,9-10,12-13H2/t17-,18-/m1/s1
InChIKeyYSHGIFKIVOARLN-QZTJIDSGSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S,3S)-2,3-dibenzylbutanedioic acid
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4,4-Diphenylbutanoic acid
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3-(1-Naphthalenylmethyl)-tetrahydrofuran-2-one-5-propionic acid
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sodium 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate
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sodium 2-[(1R,3R)-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate
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(3R,4R)-3,4-dibenzyloxolan-2-one
CID 11448508

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one?
The IUPAC name of (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one (CID 10402311) is (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one.
What is the SMILES notation for (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one?
The canonical SMILES for (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one is O=C1OC[C@@H](CCc2cccc(-c3ccccc3)c2)[C@H]1CO.
What is the InChIKey of (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one?
The InChIKey is YSHGIFKIVOARLN-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20O3/c20-12-18-17(13-22-19(18)21)10-9-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11,17-18,20H,9-10,12-13H2/t17-,18-/m1/s1.
What are the key properties of (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one?
(3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(hydroxymethyl)-4-[2-(3-phenylphenyl)ethyl]oxolan-2-one is sourced from PubChem (CID 10402311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).