[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene

C20H24O4S — CID 11451253

IUPAC[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene
SMILESCOCCOCO[C@@H]1C[C@@]1(Cc1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C20H24O4S/c1-22-12-13-23-16-24-19-15-20(19,14-17-8-4-2-5-9-17)25(21)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3/t19-,20-,25?/m1/s1
InChIKeyOCISAASRGAXISX-PRIXLJELSA-N
MW360.48 g/mol
LogP3.19
Rot. Bonds10

About [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene

[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene (PubChem CID 11451253) has the molecular formula C20H24O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene.

Molecular Properties

Compound Name[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene
PubChem CID11451253
Molecular FormulaC20H24O4S
Molecular Weight360.48 g/mol
Exact Mass360.14
IUPAC Name[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene
SMILESCOCCOCO[C@@H]1C[C@@]1(Cc1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C20H24O4S/c1-22-12-13-23-16-24-19-15-20(19,14-17-8-4-2-5-9-17)25(21)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3/t19-,20-,25?/m1/s1
InChIKeyOCISAASRGAXISX-PRIXLJELSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,5S,6S,7R)-1,3-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(2-phenylethyl)-1,3-diazepan-2-one
CID 10794918
[1-chloro-3-(2-methoxyethoxymethoxy)-2,2-dimethylpropyl]sulfinylbenzene
CID 101369116
(3R,4S,5S,6R)-3,6-dibenzyl-4,5-bis(2-methoxyethoxymethoxy)-1,2,7-thiadiazepane 1,1-dioxide
CID 59032170
3,6-dibenzyl-4,5-bis(2-methoxyethoxymethoxy)thiepane
CID 22088971
[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane
CID 11006336
2-methoxyethoxymethyl benzoate
CID 11275823
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
4-O-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl] 1-O-(3-phenylmethoxypropyl) butanedioate
CID 88976024
4-[[(4S,5R,6R,7S)-4,7-dibenzyl-3-[(4-cyanophenyl)methyl]-5,6-bis(2-methoxyethoxymethoxy)-2-oxo-1,3-diazepan-1-yl]methyl]benzonitrile
CID 10676437
(4R,5S,6S)-1,4,7-tribenzyl-5,6-bis(2-methoxyethoxymethoxy)-2-methylsulfanyl-4,5,6,7-tetrahydro-1,3-diazepine
CID 59904117
(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
CID 59132187

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene?
The IUPAC name of [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene (CID 11451253) is [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene.
What is the SMILES notation for [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene?
The canonical SMILES for [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene is COCCOCO[C@@H]1C[C@@]1(Cc1ccccc1)S(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene?
The InChIKey is OCISAASRGAXISX-PRIXLJELSA-N. The full InChI is InChI=1S/C20H24O4S/c1-22-12-13-23-16-24-19-15-20(19,14-17-8-4-2-5-9-17)25(21)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3/t19-,20-,25?/m1/s1.
What are the key properties of [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene?
[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene has a molecular weight of 360.48 g/mol, XLogP of 3.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene is sourced from PubChem (CID 11451253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).