Menthofuran

C10H14O — CID 329983

IUPAC3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCC1CCC2=C(C1)OC=C2C
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
InChIKeyYGWKXXYGDYYFJU-UHFFFAOYSA-N
MW150.22 g/mol
LogP3.00
Rot. Bonds

About Menthofuran

Menthofuran (PubChem CID 329983) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound NameMenthofuran
PubChem CID329983
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCC1CCC2=C(C1)OC=C2C
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
InChIKeyYGWKXXYGDYYFJU-UHFFFAOYSA-N
XLogP3.00
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Menthofuran?
The IUPAC name of Menthofuran (CID 329983) is 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for Menthofuran?
The canonical SMILES for Menthofuran is CC1CCC2=C(C1)OC=C2C.
What is the InChIKey of Menthofuran?
The InChIKey is YGWKXXYGDYYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of Menthofuran?
Menthofuran has a molecular weight of 150.22 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Menthofuran is sourced from PubChem (CID 329983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).