1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol

C13H20O2 — CID 15558328

IUPAC1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol
SMILESCC(O)C1C=C2C(C)(C)CC=CC2(C)O1
InChIInChI=1S/C13H20O2/c1-9(14)10-8-11-12(2,3)6-5-7-13(11,4)15-10/h5,7-10,14H,6H2,1-4H3
InChIKeyMGXXOIZXJCPUJG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.44
Rot. Bonds1

About 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol

1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol (PubChem CID 15558328) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol
PubChem CID15558328
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol
SMILESCC(O)C1C=C2C(C)(C)CC=CC2(C)O1
InChIInChI=1S/C13H20O2/c1-9(14)10-8-11-12(2,3)6-5-7-13(11,4)15-10/h5,7-10,14H,6H2,1-4H3
InChIKeyMGXXOIZXJCPUJG-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol (CID 15558328) is 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol is CC(O)C1C=C2C(C)(C)CC=CC2(C)O1.
What is the InChIKey of 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol?
The InChIKey is MGXXOIZXJCPUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(14)10-8-11-12(2,3)6-5-7-13(11,4)15-10/h5,7-10,14H,6H2,1-4H3.
What are the key properties of 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol?
1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 15558328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).