(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate

C20H20O6 — CID 134122231

IUPAC(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate
SMILESCOc1ccc2c(OC)oc(C(O)c3cc4cc(C)ccc4o3)c2c1.O
InChIInChI=1S/C20H18O5.H2O/c1-11-4-7-16-12(8-11)9-17(24-16)18(21)19-15-10-13(22-2)5-6-14(15)20(23-3)25-19;/h4-10,18,21H,1-3H3;1H2
InChIKeyHSSJRYHXEBSFCC-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.76
Rot. Bonds4

About (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate

(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate (PubChem CID 134122231) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate.

Molecular Properties

Compound Name(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate
PubChem CID134122231
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate
SMILESCOc1ccc2c(OC)oc(C(O)c3cc4cc(C)ccc4o3)c2c1.O
InChIInChI=1S/C20H18O5.H2O/c1-11-4-7-16-12(8-11)9-17(24-16)18(21)19-15-10-13(22-2)5-6-14(15)20(23-3)25-19;/h4-10,18,21H,1-3H3;1H2
InChIKeyHSSJRYHXEBSFCC-UHFFFAOYSA-N
XLogP3.76
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxythiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836341
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
2-methoxy-7-methyldibenzofuran
CID 122387372
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724037
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65428621
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63543642

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate?
The IUPAC name of (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate (CID 134122231) is (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate.
What is the SMILES notation for (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate?
The canonical SMILES for (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate is COc1ccc2c(OC)oc(C(O)c3cc4cc(C)ccc4o3)c2c1.O.
What is the InChIKey of (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate?
The InChIKey is HSSJRYHXEBSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5.H2O/c1-11-4-7-16-12(8-11)9-17(24-16)18(21)19-15-10-13(22-2)5-6-14(15)20(23-3)25-19;/h4-10,18,21H,1-3H3;1H2.
What are the key properties of (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate?
(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate has a molecular weight of 356.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate is sourced from PubChem (CID 134122231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).