4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran

C10H13FO2 — CID 89058645

IUPAC4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran
SMILESCOC1CC(C)=C(F)C2=C1OCC2
InChIInChI=1S/C10H13FO2/c1-6-5-8(12-2)10-7(9(6)11)3-4-13-10/h8H,3-5H2,1-2H3
InChIKeyQENUHNUEWIETIE-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.32
Rot. Bonds1

About 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran

4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran (PubChem CID 89058645) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran
PubChem CID89058645
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran
SMILESCOC1CC(C)=C(F)C2=C1OCC2
InChIInChI=1S/C10H13FO2/c1-6-5-8(12-2)10-7(9(6)11)3-4-13-10/h8H,3-5H2,1-2H3
InChIKeyQENUHNUEWIETIE-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

5-Fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417397
5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine
CID 20780746
7-Methoxy-2,3,4,5-tetrahydro-1-benzofuran
CID 91534707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran (CID 89058645) is 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran is COC1CC(C)=C(F)C2=C1OCC2.
What is the InChIKey of 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
The InChIKey is QENUHNUEWIETIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-6-5-8(12-2)10-7(9(6)11)3-4-13-10/h8H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran has a molecular weight of 184.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methoxy-5-methyl-2,3,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 89058645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).