2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

C24H22O6 — CID 23538669

IUPAC2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESC=C=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O
InChIInChI=1S/C24H22O6/c1-4-5-12-30-20-11-8-16(13-19(20)26)22-21(28-2)14-18(24(29-3)23(22)27)15-6-9-17(25)10-7-15/h5-11,13-14,25-27H,1,12H2,2-3H3
InChIKeyIMGPDGFUNAUNRN-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.87
Rot. Bonds7

About 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (PubChem CID 23538669) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.

Molecular Properties

Compound Name2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
PubChem CID23538669
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESC=C=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O
InChIInChI=1S/C24H22O6/c1-4-5-12-30-20-11-8-16(13-19(20)26)22-21(28-2)14-18(24(29-3)23(22)27)15-6-9-17(25)10-7-15/h5-11,13-14,25-27H,1,12H2,2-3H3
InChIKeyIMGPDGFUNAUNRN-UHFFFAOYSA-N
XLogP4.87
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The IUPAC name of 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (CID 23538669) is 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.
What is the SMILES notation for 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The canonical SMILES for 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is C=C=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.
What is the InChIKey of 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The InChIKey is IMGPDGFUNAUNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-4-5-12-30-20-11-8-16(13-19(20)26)22-21(28-2)14-18(24(29-3)23(22)27)15-6-9-17(25)10-7-15/h5-11,13-14,25-27H,1,12H2,2-3H3.
What are the key properties of 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol has a molecular weight of 406.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is sourced from PubChem (CID 23538669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).