1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone

C13H12O3 — CID 175384005

IUPAC1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
SMILESC=CCOc1cccc2cc(C(C)=O)oc12
InChIInChI=1S/C13H12O3/c1-3-7-15-11-6-4-5-10-8-12(9(2)14)16-13(10)11/h3-6,8H,1,7H2,2H3
InChIKeyBHWFKUHZSHYESD-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.20
Rot. Bonds4

About 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone

1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone (PubChem CID 175384005) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
PubChem CID175384005
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
SMILESC=CCOc1cccc2cc(C(C)=O)oc12
InChIInChI=1S/C13H12O3/c1-3-7-15-11-6-4-5-10-8-12(9(2)14)16-13(10)11/h3-6,8H,1,7H2,2H3
InChIKeyBHWFKUHZSHYESD-UHFFFAOYSA-N
XLogP3.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[7-(2,3-dihydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 13130644
ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
CID 11587162
bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13455063
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13393488
tert-butyl 2-(2-acetyl-1-benzofuran-7-yl)acetate
CID 10849916
3-acetyl-8-ethoxychromen-2-one
CID 3266617
1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone
CID 117196464
1-(7-butan-2-yl-1-benzofuran-2-yl)ethanone
CID 14468441
1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone
CID 57228249
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
4-[(E)-3-(7-ethoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 8830775

Frequently Asked Questions

What is the IUPAC name of 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone (CID 175384005) is 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone is C=CCOc1cccc2cc(C(C)=O)oc12.
What is the InChIKey of 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone?
The InChIKey is BHWFKUHZSHYESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-3-7-15-11-6-4-5-10-8-12(9(2)14)16-13(10)11/h3-6,8H,1,7H2,2H3.
What are the key properties of 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone?
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 175384005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).