1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran

C11H14O2 — CID 59330258

IUPAC1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran
SMILESCOC1OCc2c(C)ccc(C)c21
InChIInChI=1S/C11H14O2/c1-7-4-5-8(2)10-9(7)6-13-11(10)12-3/h4-5,11H,6H2,1-3H3
InChIKeyBUDSSYVCPZOLIR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.48
Rot. Bonds1

About 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran

1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran (PubChem CID 59330258) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran
PubChem CID59330258
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran
SMILESCOC1OCc2c(C)ccc(C)c21
InChIInChI=1S/C11H14O2/c1-7-4-5-8(2)10-9(7)6-13-11(10)12-3/h4-5,11H,6H2,1-3H3
InChIKeyBUDSSYVCPZOLIR-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran (CID 59330258) is 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran is COC1OCc2c(C)ccc(C)c21.
What is the InChIKey of 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran?
The InChIKey is BUDSSYVCPZOLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-4-5-8(2)10-9(7)6-13-11(10)12-3/h4-5,11H,6H2,1-3H3.
What are the key properties of 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran?
1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran has a molecular weight of 178.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,7-dimethyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 59330258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).