5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]

C17H16O4 — CID 102273417

IUPAC5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]
SMILESCOc1cc(OC)c2c(c1)C1(OCc3ccccc31)OC2
InChIInChI=1S/C17H16O4/c1-18-12-7-15-13(16(8-12)19-2)10-21-17(15)14-6-4-3-5-11(14)9-20-17/h3-8H,9-10H2,1-2H3
InChIKeyLQWYQOUNTABEDS-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.97
Rot. Bonds2

About 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]

5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran] (PubChem CID 102273417) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran].

Molecular Properties

Compound Name5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]
PubChem CID102273417
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]
SMILESCOc1cc(OC)c2c(c1)C1(OCc3ccccc31)OC2
InChIInChI=1S/C17H16O4/c1-18-12-7-15-13(16(8-12)19-2)10-21-17(15)14-6-4-3-5-11(14)9-20-17/h3-8H,9-10H2,1-2H3
InChIKeyLQWYQOUNTABEDS-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]?
The IUPAC name of 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran] (CID 102273417) is 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran].
What is the SMILES notation for 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]?
The canonical SMILES for 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran] is COc1cc(OC)c2c(c1)C1(OCc3ccccc31)OC2.
What is the InChIKey of 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]?
The InChIKey is LQWYQOUNTABEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-18-12-7-15-13(16(8-12)19-2)10-21-17(15)14-6-4-3-5-11(14)9-20-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran]?
5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran] has a molecular weight of 284.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7'-dimethoxy-3,3'-spirobi[1H-2-benzofuran] is sourced from PubChem (CID 102273417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).