(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane

C20H22O3 — CID 11056009

IUPAC(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
SMILESc1ccc(COC[C@@H]2[C@H](COCc3ccccc3)[C@@H]3O[C@H]23)cc1
InChIInChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-21-13-17-18(20-19(17)23-20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18+,19-,20+
InChIKeyYEXCCZQZQXHKRH-FGYAAKKASA-N
MW310.39 g/mol
LogP3.43
Rot. Bonds8

About (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane

(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane (PubChem CID 11056009) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
PubChem CID11056009
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
SMILESc1ccc(COC[C@@H]2[C@H](COCc3ccccc3)[C@@H]3O[C@H]23)cc1
InChIInChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-21-13-17-18(20-19(17)23-20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18+,19-,20+
InChIKeyYEXCCZQZQXHKRH-FGYAAKKASA-N
XLogP3.43
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839
(1R,2R,3S,4S,5R,6R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 137325219
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(1S,2S,3S,5R)-3-methyl-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 58620345
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane?
The IUPAC name of (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane (CID 11056009) is (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane.
What is the SMILES notation for (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane?
The canonical SMILES for (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane is c1ccc(COC[C@@H]2[C@H](COCc3ccccc3)[C@@H]3O[C@H]23)cc1.
What is the InChIKey of (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane?
The InChIKey is YEXCCZQZQXHKRH-FGYAAKKASA-N. The full InChI is InChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-21-13-17-18(20-19(17)23-20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18+,19-,20+.
What are the key properties of (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane?
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane has a molecular weight of 310.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane is sourced from PubChem (CID 11056009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).