4-prop-1-en-2-yl-3H-2-benzofuran-1-one

C11H10O2 — CID 11105853

IUPAC4-prop-1-en-2-yl-3H-2-benzofuran-1-one
SMILESC=C(C)c1cccc2c1COC2=O
InChIInChI=1S/C11H10O2/c1-7(2)8-4-3-5-9-10(8)6-13-11(9)12/h3-5H,1,6H2,2H3
InChIKeyIQDIESOHWNVBBU-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.39
Rot. Bonds1

About 4-prop-1-en-2-yl-3H-2-benzofuran-1-one

4-prop-1-en-2-yl-3H-2-benzofuran-1-one (PubChem CID 11105853) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-prop-1-en-2-yl-3H-2-benzofuran-1-one
PubChem CID11105853
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name4-prop-1-en-2-yl-3H-2-benzofuran-1-one
SMILESC=C(C)c1cccc2c1COC2=O
InChIInChI=1S/C11H10O2/c1-7(2)8-4-3-5-9-10(8)6-13-11(9)12/h3-5H,1,6H2,2H3
InChIKeyIQDIESOHWNVBBU-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-3H-2-benzofuran-1-one?
The IUPAC name of 4-prop-1-en-2-yl-3H-2-benzofuran-1-one (CID 11105853) is 4-prop-1-en-2-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-prop-1-en-2-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 4-prop-1-en-2-yl-3H-2-benzofuran-1-one is C=C(C)c1cccc2c1COC2=O.
What is the InChIKey of 4-prop-1-en-2-yl-3H-2-benzofuran-1-one?
The InChIKey is IQDIESOHWNVBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7(2)8-4-3-5-9-10(8)6-13-11(9)12/h3-5H,1,6H2,2H3.
What are the key properties of 4-prop-1-en-2-yl-3H-2-benzofuran-1-one?
4-prop-1-en-2-yl-3H-2-benzofuran-1-one has a molecular weight of 174.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 11105853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).