(2R,3R)-2-methoxy-3-phenylmethoxyoxane

C13H18O3 — CID 139918795

IUPAC(2R,3R)-2-methoxy-3-phenylmethoxyoxane
SMILESCO[C@@H]1OCCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H18O3/c1-14-13-12(8-5-9-15-13)16-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyMXUNHYOBCRWOEG-CHWSQXEVSA-N
MW222.28 g/mol
LogP2.35
Rot. Bonds4

About (2R,3R)-2-methoxy-3-phenylmethoxyoxane

(2R,3R)-2-methoxy-3-phenylmethoxyoxane (PubChem CID 139918795) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2R,3R)-2-methoxy-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,3R)-2-methoxy-3-phenylmethoxyoxane
PubChem CID139918795
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2R,3R)-2-methoxy-3-phenylmethoxyoxane
SMILESCO[C@@H]1OCCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H18O3/c1-14-13-12(8-5-9-15-13)16-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyMXUNHYOBCRWOEG-CHWSQXEVSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
3-benzyl-2-methoxyoxane
CID 13382528
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol
CID 53242932
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449
4-[(2R,3R)-3-phenylmethoxyoxan-2-yl]but-3-yn-2-ol
CID 10945177
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methoxy-3-phenylmethoxyoxane?
The IUPAC name of (2R,3R)-2-methoxy-3-phenylmethoxyoxane (CID 139918795) is (2R,3R)-2-methoxy-3-phenylmethoxyoxane.
What is the SMILES notation for (2R,3R)-2-methoxy-3-phenylmethoxyoxane?
The canonical SMILES for (2R,3R)-2-methoxy-3-phenylmethoxyoxane is CO[C@@H]1OCCC[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R)-2-methoxy-3-phenylmethoxyoxane?
The InChIKey is MXUNHYOBCRWOEG-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-13-12(8-5-9-15-13)16-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-methoxy-3-phenylmethoxyoxane?
(2R,3R)-2-methoxy-3-phenylmethoxyoxane has a molecular weight of 222.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methoxy-3-phenylmethoxyoxane is sourced from PubChem (CID 139918795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).