cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide

C18H19CsO3 — CID 155795433

IUPACcesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide
SMILESC[C@H]1[CH-]OC(Oc2ccc(OCc3ccccc3)cc2)C1.[Cs+]
InChIInChI=1S/C18H19O3.Cs/c1-14-11-18(20-12-14)21-17-9-7-16(8-10-17)19-13-15-5-3-2-4-6-15;/h2-10,12,14,18H,11,13H2,1H3;/q-1;+1/t14-,18?;/m1./s1
InChIKeyARIYKEXKXPQBSN-BSOSYTQUSA-N
MW416.25 g/mol
LogP1.19
Rot. Bonds5

About cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide

cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide (PubChem CID 155795433) has the molecular formula C18H19CsO3 and a molecular weight of 416.25 g/mol. Its IUPAC name is cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide.

Molecular Properties

Compound Namecesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide
PubChem CID155795433
Molecular FormulaC18H19CsO3
Molecular Weight416.25 g/mol
Exact Mass416.04
IUPAC Namecesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide
SMILESC[C@H]1[CH-]OC(Oc2ccc(OCc3ccccc3)cc2)C1.[Cs+]
InChIInChI=1S/C18H19O3.Cs/c1-14-11-18(20-12-14)21-17-9-7-16(8-10-17)19-13-15-5-3-2-4-6-15;/h2-10,12,14,18H,11,13H2,1H3;/q-1;+1/t14-,18?;/m1./s1
InChIKeyARIYKEXKXPQBSN-BSOSYTQUSA-N
XLogP1.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide with MolForge

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Related Compounds

2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene
CID 66346512
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
pentacesium;(4R)-2-[3-chloro-5-[(4-fluorophenyl)methoxy]phenoxy]-4-methyl-2,3,4,5-tetrahydrofuran-5-ide;(4R)-2-(3-chloro-5-methoxyphenoxy)-4-methyl-2,3,4,5-tetrahydrofuran-5-ide;bis((4R)-2-[3-[(4-fluorophenyl)methoxy]-5-methoxyphenoxy]-4-methyl-2,3,4,5-tetrahydrofuran-5-ide);7-[[3-[[(4R)-4-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl]oxy]phenoxy]methyl]chromen-2-one
CID 162082088
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240

Frequently Asked Questions

What is the IUPAC name of cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide?
The IUPAC name of cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide (CID 155795433) is cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide.
What is the SMILES notation for cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide?
The canonical SMILES for cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide is C[C@H]1[CH-]OC(Oc2ccc(OCc3ccccc3)cc2)C1.[Cs+].
What is the InChIKey of cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide?
The InChIKey is ARIYKEXKXPQBSN-BSOSYTQUSA-N. The full InChI is InChI=1S/C18H19O3.Cs/c1-14-11-18(20-12-14)21-17-9-7-16(8-10-17)19-13-15-5-3-2-4-6-15;/h2-10,12,14,18H,11,13H2,1H3;/q-1;+1/t14-,18?;/m1./s1.
What are the key properties of cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide?
cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide has a molecular weight of 416.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide is sourced from PubChem (CID 155795433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).