(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane

C25H24O4 — CID 22849380

IUPAC(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
SMILESCOc1ccc(C(OC[C@H]2OC[C@H]3O[C@@H]23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24O4/c1-26-21-14-12-20(13-15-21)25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)28-17-22-24-23(29-24)16-27-22/h2-15,22-24H,16-17H2,1H3/t22-,23-,24+/m1/s1
InChIKeyUWPIRQGTULSQSD-SMIHKQSGSA-N
MW388.46 g/mol
LogP4.17
Rot. Bonds7

About (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane

(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane (PubChem CID 22849380) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
PubChem CID22849380
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
SMILESCOc1ccc(C(OC[C@H]2OC[C@H]3O[C@@H]23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24O4/c1-26-21-14-12-20(13-15-21)25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)28-17-22-24-23(29-24)16-27-22/h2-15,22-24H,16-17H2,1H3/t22-,23-,24+/m1/s1
InChIKeyUWPIRQGTULSQSD-SMIHKQSGSA-N
XLogP4.17
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
CID 89240141
CID 89240141
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol
CID 46919604
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11478258
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
CID 68719586

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane (CID 22849380) is (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane is COc1ccc(C(OC[C@H]2OC[C@H]3O[C@@H]23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane?
The InChIKey is UWPIRQGTULSQSD-SMIHKQSGSA-N. The full InChI is InChI=1S/C25H24O4/c1-26-21-14-12-20(13-15-21)25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)28-17-22-24-23(29-24)16-27-22/h2-15,22-24H,16-17H2,1H3/t22-,23-,24+/m1/s1.
What are the key properties of (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane?
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 388.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 22849380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).