2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane

C23H28O6 — CID 46182882

IUPAC2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC1CCCCO1
InChIInChI=1S/C23H28O6/c1-24-18-11-10-16(13-19(18)29-22-7-5-6-12-28-22)8-9-17-14-20(25-2)23(27-4)21(15-17)26-3/h8-11,13-15,22H,5-7,12H2,1-4H3/b9-8+
InChIKeyBFBLWOSNHREFPG-CMDGGOBGSA-N
MW400.47 g/mol
LogP4.80
Rot. Bonds8

About 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane

2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane (PubChem CID 46182882) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane.

Molecular Properties

Compound Name2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
PubChem CID46182882
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC1CCCCO1
InChIInChI=1S/C23H28O6/c1-24-18-11-10-16(13-19(18)29-22-7-5-6-12-28-22)8-9-17-14-20(25-2)23(27-4)21(15-17)26-3/h8-11,13-15,22H,5-7,12H2,1-4H3/b9-8+
InChIKeyBFBLWOSNHREFPG-CMDGGOBGSA-N
XLogP4.80
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide
CID 68712752
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223495
(E)-3-[3,4-bis(oxan-2-yloxy)phenyl]-1-[2,4,6-tris(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 56925805
ethyl (6E)-7-[3-methoxy-4-(oxan-2-yloxy)phenyl]-4-[(E)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-enoyl]-5-oxohepta-3,6-dienoate
CID 123526731
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
3-chloro-4-(oxan-2-yloxy)benzaldehyde
CID 87515620
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane?
The IUPAC name of 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane (CID 46182882) is 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane.
What is the SMILES notation for 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane?
The canonical SMILES for 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane is COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC1CCCCO1.
What is the InChIKey of 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane?
The InChIKey is BFBLWOSNHREFPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H28O6/c1-24-18-11-10-16(13-19(18)29-22-7-5-6-12-28-22)8-9-17-14-20(25-2)23(27-4)21(15-17)26-3/h8-11,13-15,22H,5-7,12H2,1-4H3/b9-8+.
What are the key properties of 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane?
2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane has a molecular weight of 400.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane is sourced from PubChem (CID 46182882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).