5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol

C22H26O6 — CID 163086076

IUPAC5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol
SMILESCOc1cc2c(c(O)c1CC=Cc1ccc(O)cc1)C(OC)C(C(C)(C)O)O2
InChIInChI=1S/C22H26O6/c1-22(2,25)21-20(27-4)18-17(28-21)12-16(26-3)15(19(18)24)7-5-6-13-8-10-14(23)11-9-13/h5-6,8-12,20-21,23-25H,7H2,1-4H3
InChIKeyZMVUHJMPHFFOGZ-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.58
Rot. Bonds6

About 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol

5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol (PubChem CID 163086076) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol.

Molecular Properties

Compound Name5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol
PubChem CID163086076
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol
SMILESCOc1cc2c(c(O)c1CC=Cc1ccc(O)cc1)C(OC)C(C(C)(C)O)O2
InChIInChI=1S/C22H26O6/c1-22(2,25)21-20(27-4)18-17(28-21)12-16(26-3)15(19(18)24)7-5-6-13-8-10-14(23)11-9-13/h5-6,8-12,20-21,23-25H,7H2,1-4H3
InChIKeyZMVUHJMPHFFOGZ-UHFFFAOYSA-N
XLogP3.58
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol?
The IUPAC name of 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol (CID 163086076) is 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol.
What is the SMILES notation for 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol?
The canonical SMILES for 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol is COc1cc2c(c(O)c1CC=Cc1ccc(O)cc1)C(OC)C(C(C)(C)O)O2.
What is the InChIKey of 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol?
The InChIKey is ZMVUHJMPHFFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-22(2,25)21-20(27-4)18-17(28-21)12-16(26-3)15(19(18)24)7-5-6-13-8-10-14(23)11-9-13/h5-6,8-12,20-21,23-25H,7H2,1-4H3.
What are the key properties of 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol?
5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol has a molecular weight of 386.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxyphenyl)prop-2-enyl]-2-(2-hydroxypropan-2-yl)-3,6-dimethoxy-2,3-dihydro-1-benzofuran-4-ol is sourced from PubChem (CID 163086076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).