4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol

C22H24O7 — CID 19049296

IUPAC4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2oc(-c3cc(OC)c(O)c(OC)c3)c(C)c2C)cc(OC)c1O
InChIInChI=1S/C22H24O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-10,23-24H,1-6H3
InChIKeyDZUVVVOAHVRVHP-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.68
Rot. Bonds6

About 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol

4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol (PubChem CID 19049296) has the molecular formula C22H24O7 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
PubChem CID19049296
Molecular FormulaC22H24O7
Molecular Weight400.43 g/mol
Exact Mass400.15
IUPAC Name4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2oc(-c3cc(OC)c(O)c(OC)c3)c(C)c2C)cc(OC)c1O
InChIInChI=1S/C22H24O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-10,23-24H,1-6H3
InChIKeyDZUVVVOAHVRVHP-UHFFFAOYSA-N
XLogP4.68
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol (CID 19049296) is 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2oc(-c3cc(OC)c(O)c(OC)c3)c(C)c2C)cc(OC)c1O.
What is the InChIKey of 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol?
The InChIKey is DZUVVVOAHVRVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-10,23-24H,1-6H3.
What are the key properties of 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol?
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol has a molecular weight of 400.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 19049296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).