5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane

C17H28O — CID 156725009

IUPAC5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
SMILESCC.CC.Cc1cc(C)c2occc2c1C(C)C
InChIInChI=1S/C13H16O.2C2H6/c1-8(2)12-9(3)7-10(4)13-11(12)5-6-14-13;2*1-2/h5-8H,1-4H3;2*1-2H3
InChIKeyGMINLGNGDQGTGA-UHFFFAOYSA-N
MW248.41 g/mol
LogP6.23
Rot. Bonds1

About 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane

5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane (PubChem CID 156725009) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane.

Molecular Properties

Compound Name5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
PubChem CID156725009
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
SMILESCC.CC.Cc1cc(C)c2occc2c1C(C)C
InChIInChI=1S/C13H16O.2C2H6/c1-8(2)12-9(3)7-10(4)13-11(12)5-6-14-13;2*1-2/h5-8H,1-4H3;2*1-2H3
InChIKeyGMINLGNGDQGTGA-UHFFFAOYSA-N
XLogP6.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156724956
ethane;7-methyl-4-propan-2-yl-1-benzofuran
CID 145358952
4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
CID 71217546
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
4,7-dimethyl-1-benzofuran-5-amine
CID 45122665
4-cyclopropyl-5,7-dimethyl-1-benzofuran
CID 156724618
2-(8-methylfuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 117330543
4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one
CID 130420642
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106
4,8-dimethylfuro[2,3-f][1]benzofuran
CID 130182469
5,7-di(propan-2-yl)-1-benzofuran-4-amine
CID 176877209
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
The IUPAC name of 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane (CID 156725009) is 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane.
What is the SMILES notation for 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
The canonical SMILES for 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane is CC.CC.Cc1cc(C)c2occc2c1C(C)C.
What is the InChIKey of 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
The InChIKey is GMINLGNGDQGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.2C2H6/c1-8(2)12-9(3)7-10(4)13-11(12)5-6-14-13;2*1-2/h5-8H,1-4H3;2*1-2H3.
What are the key properties of 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane has a molecular weight of 248.41 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane is sourced from PubChem (CID 156725009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).