2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran

C11H14O — CID 90253406

IUPAC2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=CC2C(C)=CC=C(C)C2O1
InChIInChI=1S/C11H14O/c1-7-4-5-8(2)11-10(7)6-9(3)12-11/h4-6,10-11H,1-3H3
InChIKeyKMCILDXVXMWEEW-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.81
Rot. Bonds

About 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran

2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran (PubChem CID 90253406) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran
PubChem CID90253406
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=CC2C(C)=CC=C(C)C2O1
InChIInChI=1S/C11H14O/c1-7-4-5-8(2)11-10(7)6-9(3)12-11/h4-6,10-11H,1-3H3
InChIKeyKMCILDXVXMWEEW-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran?
The IUPAC name of 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran (CID 90253406) is 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran.
What is the SMILES notation for 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran?
The canonical SMILES for 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran is CC1=CC2C(C)=CC=C(C)C2O1.
What is the InChIKey of 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran?
The InChIKey is KMCILDXVXMWEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-7-4-5-8(2)11-10(7)6-9(3)12-11/h4-6,10-11H,1-3H3.
What are the key properties of 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran?
2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran has a molecular weight of 162.23 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-3a,7a-dihydro-1-benzofuran is sourced from PubChem (CID 90253406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).