(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane

C12H16O5 — CID 100966838

IUPAC(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
SMILESCOCO[C@H]1O[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C12H16O5/c1-13-8-16-12-11(17-12)15-7-9-3-5-10(14-2)6-4-9/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyREZDGOXCBFHRJV-RYUDHWBXSA-N
MW240.25 g/mol
LogP1.51
Rot. Bonds7

About (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane

(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane (PubChem CID 100966838) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
PubChem CID100966838
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
SMILESCOCO[C@H]1O[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C12H16O5/c1-13-8-16-12-11(17-12)15-7-9-3-5-10(14-2)6-4-9/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyREZDGOXCBFHRJV-RYUDHWBXSA-N
XLogP1.51
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
CID 10037202
(1S,2S,4R,5R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 44596491
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 11539901
(3aS,4S,6S,6aS)-4-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 10638506
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
1-[[(1R,4R,5R,6R)-2-bromo-6-iodo-4,5-bis(methoxymethoxy)cyclohex-2-en-1-yl]oxymethyl]-4-methoxybenzene
CID 139039124

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane?
The IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane (CID 100966838) is (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane.
What is the SMILES notation for (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane?
The canonical SMILES for (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane is COCO[C@H]1O[C@@H]1OCc1ccc(OC)cc1.
What is the InChIKey of (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane?
The InChIKey is REZDGOXCBFHRJV-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O5/c1-13-8-16-12-11(17-12)15-7-9-3-5-10(14-2)6-4-9/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane?
(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane has a molecular weight of 240.25 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane is sourced from PubChem (CID 100966838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).