1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene

C15H12O2 — CID 21488052

IUPAC1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCOc1c2cccc1-2.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C7H6O/c1-2-4-8-7(3-1)5-6-9-8;1-8-7-5-3-2-4-6(5)7/h1-6H;2-4H,1H3
InChIKeyFAEPIKLRTJWRKT-UHFFFAOYSA-N
MW224.26 g/mol
LogP4.11
Rot. Bonds1

About 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene

1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 21488052) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID21488052
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCOc1c2cccc1-2.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C7H6O/c1-2-4-8-7(3-1)5-6-9-8;1-8-7-5-3-2-4-6(5)7/h1-6H;2-4H,1H3
InChIKeyFAEPIKLRTJWRKT-UHFFFAOYSA-N
XLogP4.11
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87839224
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CID 20511979
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CID 121363040

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene (CID 21488052) is 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene is COc1c2cccc1-2.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is FAEPIKLRTJWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C7H6O/c1-2-4-8-7(3-1)5-6-9-8;1-8-7-5-3-2-4-6(5)7/h1-6H;2-4H,1H3.
What are the key properties of 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene?
1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 224.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 21488052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).