2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one

C14H16O2 — CID 83154271

IUPAC2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)COC2)C1CC1
InChIInChI=1S/C14H16O2/c1-9(10-2-3-10)14(15)11-4-5-12-7-16-8-13(12)6-11/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyWKYMMBVHDOWAFY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.95
Rot. Bonds3

About 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one

2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one (PubChem CID 83154271) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
PubChem CID83154271
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)COC2)C1CC1
InChIInChI=1S/C14H16O2/c1-9(10-2-3-10)14(15)11-4-5-12-7-16-8-13(12)6-11/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyWKYMMBVHDOWAFY-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one (CID 83154271) is 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one is CC(C(=O)c1ccc2c(c1)COC2)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one?
The InChIKey is WKYMMBVHDOWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9(10-2-3-10)14(15)11-4-5-12-7-16-8-13(12)6-11/h4-6,9-10H,2-3,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one?
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one is sourced from PubChem (CID 83154271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).