6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane

C15H26O2 — CID 155578031

IUPAC6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane
SMILESCC.CC(C)c1cc2c(o1)CC(C)(C)CC2O
InChIInChI=1S/C13H20O2.C2H6/c1-8(2)11-5-9-10(14)6-13(3,4)7-12(9)15-11;1-2/h5,8,10,14H,6-7H2,1-4H3;1-2H3
InChIKeyCQOBVYQCAWAJEZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.43
Rot. Bonds1

About 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane

6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane (PubChem CID 155578031) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane.

Molecular Properties

Compound Name6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane
PubChem CID155578031
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane
SMILESCC.CC(C)c1cc2c(o1)CC(C)(C)CC2O
InChIInChI=1S/C13H20O2.C2H6/c1-8(2)11-5-9-10(14)6-13(3,4)7-12(9)15-11;1-2/h5,8,10,14H,6-7H2,1-4H3;1-2H3
InChIKeyCQOBVYQCAWAJEZ-UHFFFAOYSA-N
XLogP4.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane?
The IUPAC name of 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane (CID 155578031) is 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane.
What is the SMILES notation for 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane?
The canonical SMILES for 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane is CC.CC(C)c1cc2c(o1)CC(C)(C)CC2O.
What is the InChIKey of 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane?
The InChIKey is CQOBVYQCAWAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C2H6/c1-8(2)11-5-9-10(14)6-13(3,4)7-12(9)15-11;1-2/h5,8,10,14H,6-7H2,1-4H3;1-2H3.
What are the key properties of 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane?
6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane has a molecular weight of 238.37 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol;ethane is sourced from PubChem (CID 155578031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).