3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran

C15H18O — CID 170676356

IUPAC3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran
SMILESCc1ccc2occ(C3CC3)c2c1C(C)C
InChIInChI=1S/C15H18O/c1-9(2)14-10(3)4-7-13-15(14)12(8-16-13)11-5-6-11/h4,7-9,11H,5-6H2,1-3H3
InChIKeyFUIPKGRYGODACJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.74
Rot. Bonds2

About 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran

3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran (PubChem CID 170676356) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran
PubChem CID170676356
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran
SMILESCc1ccc2occ(C3CC3)c2c1C(C)C
InChIInChI=1S/C15H18O/c1-9(2)14-10(3)4-7-13-15(14)12(8-16-13)11-5-6-11/h4,7-9,11H,5-6H2,1-3H3
InChIKeyFUIPKGRYGODACJ-UHFFFAOYSA-N
XLogP4.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran?
The IUPAC name of 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran (CID 170676356) is 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran.
What is the SMILES notation for 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran?
The canonical SMILES for 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran is Cc1ccc2occ(C3CC3)c2c1C(C)C.
What is the InChIKey of 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran?
The InChIKey is FUIPKGRYGODACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-9(2)14-10(3)4-7-13-15(14)12(8-16-13)11-5-6-11/h4,7-9,11H,5-6H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran?
3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran has a molecular weight of 214.31 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-4-propan-2-yl-1-benzofuran is sourced from PubChem (CID 170676356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).