1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone

C14H16O2 — CID 65428215

IUPAC1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(C(C)C)ccc(C)c2o1
InChIInChI=1S/C14H16O2/c1-8(2)11-6-5-9(3)14-12(11)7-13(16-14)10(4)15/h5-8H,1-4H3
InChIKeyAPBMTGWQGNSEFP-UHFFFAOYSA-N
MW216.28 g/mol
LogP4.07
Rot. Bonds2

About 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone

1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone (PubChem CID 65428215) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
PubChem CID65428215
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(C(C)C)ccc(C)c2o1
InChIInChI=1S/C14H16O2/c1-8(2)11-6-5-9(3)14-12(11)7-13(16-14)10(4)15/h5-8H,1-4H3
InChIKeyAPBMTGWQGNSEFP-UHFFFAOYSA-N
XLogP4.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone (CID 65428215) is 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2c(C(C)C)ccc(C)c2o1.
What is the InChIKey of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone?
The InChIKey is APBMTGWQGNSEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-8(2)11-6-5-9(3)14-12(11)7-13(16-14)10(4)15/h5-8H,1-4H3.
What are the key properties of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone?
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 65428215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).