2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran

C11H16O — CID 123244802

IUPAC2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran
SMILESCC1CC2=C(C=CC(C)C2C)O1
InChIInChI=1S/C11H16O/c1-7-4-5-11-10(9(7)3)6-8(2)12-11/h4-5,7-9H,6H2,1-3H3
InChIKeyQYOVOTDYMNFSOW-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.89
Rot. Bonds

About 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran

2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran (PubChem CID 123244802) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran
PubChem CID123244802
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran
SMILESCC1CC2=C(C=CC(C)C2C)O1
InChIInChI=1S/C11H16O/c1-7-4-5-11-10(9(7)3)6-8(2)12-11/h4-5,7-9H,6H2,1-3H3
InChIKeyQYOVOTDYMNFSOW-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran?
The IUPAC name of 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran (CID 123244802) is 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran.
What is the SMILES notation for 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran?
The canonical SMILES for 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran is CC1CC2=C(C=CC(C)C2C)O1.
What is the InChIKey of 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran?
The InChIKey is QYOVOTDYMNFSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7-4-5-11-10(9(7)3)6-8(2)12-11/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran?
2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran has a molecular weight of 164.25 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-2,3,4,5-tetrahydro-1-benzofuran is sourced from PubChem (CID 123244802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).