ethane;7-methyl-4-propan-2-yl-1-benzofuran

C14H20O — CID 145358952

IUPACethane;7-methyl-4-propan-2-yl-1-benzofuran
SMILESCC.Cc1ccc(C(C)C)c2ccoc12
InChIInChI=1S/C12H14O.C2H6/c1-8(2)10-5-4-9(3)12-11(10)6-7-13-12;1-2/h4-8H,1-3H3;1-2H3
InChIKeyRQTDGADHDYWMAF-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.89
Rot. Bonds1

About ethane;7-methyl-4-propan-2-yl-1-benzofuran

ethane;7-methyl-4-propan-2-yl-1-benzofuran (PubChem CID 145358952) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;7-methyl-4-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Nameethane;7-methyl-4-propan-2-yl-1-benzofuran
PubChem CID145358952
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nameethane;7-methyl-4-propan-2-yl-1-benzofuran
SMILESCC.Cc1ccc(C(C)C)c2ccoc12
InChIInChI=1S/C12H14O.C2H6/c1-8(2)10-5-4-9(3)12-11(10)6-7-13-12;1-2/h4-8H,1-3H3;1-2H3
InChIKeyRQTDGADHDYWMAF-UHFFFAOYSA-N
XLogP4.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4-propan-2-yl-1-benzofuran?
The IUPAC name of ethane;7-methyl-4-propan-2-yl-1-benzofuran (CID 145358952) is ethane;7-methyl-4-propan-2-yl-1-benzofuran.
What is the SMILES notation for ethane;7-methyl-4-propan-2-yl-1-benzofuran?
The canonical SMILES for ethane;7-methyl-4-propan-2-yl-1-benzofuran is CC.Cc1ccc(C(C)C)c2ccoc12.
What is the InChIKey of ethane;7-methyl-4-propan-2-yl-1-benzofuran?
The InChIKey is RQTDGADHDYWMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-8(2)10-5-4-9(3)12-11(10)6-7-13-12;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;7-methyl-4-propan-2-yl-1-benzofuran?
ethane;7-methyl-4-propan-2-yl-1-benzofuran has a molecular weight of 204.31 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-4-propan-2-yl-1-benzofuran is sourced from PubChem (CID 145358952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).