(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane

C20H22O2 — CID 101356629

IUPAC(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane
SMILESC=C[C@H]1[C@H](Cc2cccc(OC)c2)CO[C@@H]1c1ccccc1
InChIInChI=1S/C20H22O2/c1-3-19-17(12-15-8-7-11-18(13-15)21-2)14-22-20(19)16-9-5-4-6-10-16/h3-11,13,17,19-20H,1,12,14H2,2H3/t17-,19+,20-/m1/s1
InChIKeyAOBHHCCEIONRDQ-YZGWKJHDSA-N
MW294.39 g/mol
LogP4.43
Rot. Bonds5

About (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane

(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane (PubChem CID 101356629) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane.

Molecular Properties

Compound Name(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane
PubChem CID101356629
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane
SMILESC=C[C@H]1[C@H](Cc2cccc(OC)c2)CO[C@@H]1c1ccccc1
InChIInChI=1S/C20H22O2/c1-3-19-17(12-15-8-7-11-18(13-15)21-2)14-22-20(19)16-9-5-4-6-10-16/h3-11,13,17,19-20H,1,12,14H2,2H3/t17-,19+,20-/m1/s1
InChIKeyAOBHHCCEIONRDQ-YZGWKJHDSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole
CID 11392680
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724
N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 128998233
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane
CID 89178874
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
CID 59801682

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane?
The IUPAC name of (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane (CID 101356629) is (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane.
What is the SMILES notation for (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane?
The canonical SMILES for (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane is C=C[C@H]1[C@H](Cc2cccc(OC)c2)CO[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane?
The InChIKey is AOBHHCCEIONRDQ-YZGWKJHDSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-19-17(12-15-8-7-11-18(13-15)21-2)14-22-20(19)16-9-5-4-6-10-16/h3-11,13,17,19-20H,1,12,14H2,2H3/t17-,19+,20-/m1/s1.
What are the key properties of (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane?
(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane has a molecular weight of 294.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane is sourced from PubChem (CID 101356629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).