7-methoxy-2,3,4,5-tetrahydro-1-benzofuran

C9H12O2 — CID 91534707

IUPAC7-methoxy-2,3,4,5-tetrahydro-1-benzofuran
SMILESCOC1=CCCC2=C1OCC2
InChIInChI=1S/C9H12O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h4H,2-3,5-6H2,1H3
InChIKeyRAFRPZWWSKPAFC-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.98
Rot. Bonds1

About 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran

7-methoxy-2,3,4,5-tetrahydro-1-benzofuran (PubChem CID 91534707) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydro-1-benzofuran
PubChem CID91534707
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name7-methoxy-2,3,4,5-tetrahydro-1-benzofuran
SMILESCOC1=CCCC2=C1OCC2
InChIInChI=1S/C9H12O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h4H,2-3,5-6H2,1H3
InChIKeyRAFRPZWWSKPAFC-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran (CID 91534707) is 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran is COC1=CCCC2=C1OCC2.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran?
The InChIKey is RAFRPZWWSKPAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h4H,2-3,5-6H2,1H3.
What are the key properties of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran?
7-methoxy-2,3,4,5-tetrahydro-1-benzofuran has a molecular weight of 152.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran is sourced from PubChem (CID 91534707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).