4-cyclopropyl-7-methyl-1-benzofuran;ethane

C14H18O — CID 156724915

IUPAC4-cyclopropyl-7-methyl-1-benzofuran;ethane
SMILESCC.Cc1ccc(C2CC2)c2ccoc12
InChIInChI=1S/C12H12O.C2H6/c1-8-2-5-10(9-3-4-9)11-6-7-13-12(8)11;1-2/h2,5-7,9H,3-4H2,1H3;1-2H3
InChIKeyWCVSCHPBNORDPW-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.64
Rot. Bonds1

About 4-cyclopropyl-7-methyl-1-benzofuran;ethane

4-cyclopropyl-7-methyl-1-benzofuran;ethane (PubChem CID 156724915) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-cyclopropyl-7-methyl-1-benzofuran;ethane.

Molecular Properties

Compound Name4-cyclopropyl-7-methyl-1-benzofuran;ethane
PubChem CID156724915
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-cyclopropyl-7-methyl-1-benzofuran;ethane
SMILESCC.Cc1ccc(C2CC2)c2ccoc12
InChIInChI=1S/C12H12O.C2H6/c1-8-2-5-10(9-3-4-9)11-6-7-13-12(8)11;1-2/h2,5-7,9H,3-4H2,1H3;1-2H3
InChIKeyWCVSCHPBNORDPW-UHFFFAOYSA-N
XLogP4.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-methyl-1-benzofuran;ethane?
The IUPAC name of 4-cyclopropyl-7-methyl-1-benzofuran;ethane (CID 156724915) is 4-cyclopropyl-7-methyl-1-benzofuran;ethane.
What is the SMILES notation for 4-cyclopropyl-7-methyl-1-benzofuran;ethane?
The canonical SMILES for 4-cyclopropyl-7-methyl-1-benzofuran;ethane is CC.Cc1ccc(C2CC2)c2ccoc12.
What is the InChIKey of 4-cyclopropyl-7-methyl-1-benzofuran;ethane?
The InChIKey is WCVSCHPBNORDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C2H6/c1-8-2-5-10(9-3-4-9)11-6-7-13-12(8)11;1-2/h2,5-7,9H,3-4H2,1H3;1-2H3.
What are the key properties of 4-cyclopropyl-7-methyl-1-benzofuran;ethane?
4-cyclopropyl-7-methyl-1-benzofuran;ethane has a molecular weight of 202.30 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-methyl-1-benzofuran;ethane is sourced from PubChem (CID 156724915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).