4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol

C21H26O7 — CID 162462066

IUPAC4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol
SMILESC/C=C/c1cc(OC)c(OCC(O)c2cc(OC)c(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H26O7/c1-6-7-13-8-18(26-4)21(19(9-13)27-5)28-12-15(22)14-10-16(24-2)20(23)17(11-14)25-3/h6-11,15,22-23H,12H2,1-5H3/b7-6+
InChIKeyHMMCIXLFAANKLX-VOTSOKGWSA-N
MW390.43 g/mol
LogP3.57
Rot. Bonds9

About 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol

4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol (PubChem CID 162462066) has the molecular formula C21H26O7 and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol
PubChem CID162462066
Molecular FormulaC21H26O7
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol
SMILESC/C=C/c1cc(OC)c(OCC(O)c2cc(OC)c(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H26O7/c1-6-7-13-8-18(26-4)21(19(9-13)27-5)28-12-15(22)14-10-16(24-2)20(23)17(11-14)25-3/h6-11,15,22-23H,12H2,1-5H3/b7-6+
InChIKeyHMMCIXLFAANKLX-VOTSOKGWSA-N
XLogP3.57
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

4-[(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenol
CID 162900786
2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol
CID 162516156
(1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 44559993
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol (CID 162462066) is 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol is C/C=C/c1cc(OC)c(OCC(O)c2cc(OC)c(O)c(OC)c2)c(OC)c1.
What is the InChIKey of 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol?
The InChIKey is HMMCIXLFAANKLX-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H26O7/c1-6-7-13-8-18(26-4)21(19(9-13)27-5)28-12-15(22)14-10-16(24-2)20(23)17(11-14)25-3/h6-11,15,22-23H,12H2,1-5H3/b7-6+.
What are the key properties of 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol?
4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol has a molecular weight of 390.43 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 162462066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).