(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane

C15H20O3 — CID 102385055

IUPAC(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane
SMILESCOc1ccc(/C=C/[C@@H]2CCCO[C@@H]2OC)cc1
InChIInChI=1S/C15H20O3/c1-16-14-9-6-12(7-10-14)5-8-13-4-3-11-18-15(13)17-2/h5-10,13,15H,3-4,11H2,1-2H3/b8-5+/t13-,15-/m0/s1
InChIKeyNTVRBHZLQGDFFA-MNOINKQASA-N
MW248.32 g/mol
LogP3.11
Rot. Bonds4

About (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane

(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane (PubChem CID 102385055) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane.

Molecular Properties

Compound Name(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane
PubChem CID102385055
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane
SMILESCOc1ccc(/C=C/[C@@H]2CCCO[C@@H]2OC)cc1
InChIInChI=1S/C15H20O3/c1-16-14-9-6-12(7-10-14)5-8-13-4-3-11-18-15(13)17-2/h5-10,13,15H,3-4,11H2,1-2H3/b8-5+/t13-,15-/m0/s1
InChIKeyNTVRBHZLQGDFFA-MNOINKQASA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442
(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
CID 102309158
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane
CID 11021774
2,3-bis(4-methoxyphenoxy)-1,4-dioxane
CID 13494254
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
CID 10037202
2-methoxy-3-(2-methoxyoxan-3-yl)oxane
CID 575050
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
methyl (2R,3R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxooxane-3-carboxylate
CID 146652851
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane?
The IUPAC name of (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane (CID 102385055) is (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane.
What is the SMILES notation for (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane?
The canonical SMILES for (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane is COc1ccc(/C=C/[C@@H]2CCCO[C@@H]2OC)cc1.
What is the InChIKey of (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane?
The InChIKey is NTVRBHZLQGDFFA-MNOINKQASA-N. The full InChI is InChI=1S/C15H20O3/c1-16-14-9-6-12(7-10-14)5-8-13-4-3-11-18-15(13)17-2/h5-10,13,15H,3-4,11H2,1-2H3/b8-5+/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane?
(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane has a molecular weight of 248.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane is sourced from PubChem (CID 102385055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).