ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran

C14H22O — CID 145338574

IUPACethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
SMILESCC.CCC1(C)Cc2cc(C)ccc2O1
InChIInChI=1S/C12H16O.C2H6/c1-4-12(3)8-10-7-9(2)5-6-11(10)13-12;1-2/h5-7H,4,8H2,1-3H3;1-2H3
InChIKeyWBHGVMFRUIFMHW-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.12
Rot. Bonds1

About ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran

ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran (PubChem CID 145338574) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Nameethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
PubChem CID145338574
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
SMILESCC.CCC1(C)Cc2cc(C)ccc2O1
InChIInChI=1S/C12H16O.C2H6/c1-4-12(3)8-10-7-9(2)5-6-11(10)13-12;1-2/h5-7H,4,8H2,1-3H3;1-2H3
InChIKeyWBHGVMFRUIFMHW-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran?
The IUPAC name of ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran (CID 145338574) is ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran.
What is the SMILES notation for ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran?
The canonical SMILES for ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran is CC.CCC1(C)Cc2cc(C)ccc2O1.
What is the InChIKey of ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran?
The InChIKey is WBHGVMFRUIFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H6/c1-4-12(3)8-10-7-9(2)5-6-11(10)13-12;1-2/h5-7H,4,8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran?
ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran has a molecular weight of 206.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 145338574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).