5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]

C17H16O4 — CID 14070048

IUPAC5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
SMILESCOc1ccc2c(c1)C1(CO2)COc2ccc(OC)cc21
InChIInChI=1S/C17H16O4/c1-18-11-3-5-15-13(7-11)17(9-20-15)10-21-16-6-4-12(19-2)8-14(16)17/h3-8H,9-10H2,1-2H3
InChIKeyRNFVRRINLPYYKK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.77
Rot. Bonds2

About 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]

5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran] (PubChem CID 14070048) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran].

Molecular Properties

Compound Name5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
PubChem CID14070048
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
SMILESCOc1ccc2c(c1)C1(CO2)COc2ccc(OC)cc21
InChIInChI=1S/C17H16O4/c1-18-11-3-5-15-13(7-11)17(9-20-15)10-21-16-6-4-12(19-2)8-14(16)17/h3-8H,9-10H2,1-2H3
InChIKeyRNFVRRINLPYYKK-UHFFFAOYSA-N
XLogP2.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]?
The IUPAC name of 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran] (CID 14070048) is 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran].
What is the SMILES notation for 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]?
The canonical SMILES for 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran] is COc1ccc2c(c1)C1(CO2)COc2ccc(OC)cc21.
What is the InChIKey of 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]?
The InChIKey is RNFVRRINLPYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-18-11-3-5-15-13(7-11)17(9-20-15)10-21-16-6-4-12(19-2)8-14(16)17/h3-8H,9-10H2,1-2H3.
What are the key properties of 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]?
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran] has a molecular weight of 284.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran] is sourced from PubChem (CID 14070048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).