1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone

C19H18O3 — CID 14531155

IUPAC1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/Cc2cc3c(cc2O)CCO3)cc1
InChIInChI=1S/C19H18O3/c1-13(20)15-7-5-14(6-8-15)3-2-4-16-12-19-17(9-10-22-19)11-18(16)21/h2-3,5-8,11-12,21H,4,9-10H2,1H3/b3-2+
InChIKeyMIGYDCUONTYFRT-NSCUHMNNSA-N
MW294.35 g/mol
LogP3.79
Rot. Bonds4

About 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone

1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone (PubChem CID 14531155) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone
PubChem CID14531155
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/Cc2cc3c(cc2O)CCO3)cc1
InChIInChI=1S/C19H18O3/c1-13(20)15-7-5-14(6-8-15)3-2-4-16-12-19-17(9-10-22-19)11-18(16)21/h2-3,5-8,11-12,21H,4,9-10H2,1H3/b3-2+
InChIKeyMIGYDCUONTYFRT-NSCUHMNNSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone (CID 14531155) is 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/Cc2cc3c(cc2O)CCO3)cc1.
What is the InChIKey of 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone?
The InChIKey is MIGYDCUONTYFRT-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H18O3/c1-13(20)15-7-5-14(6-8-15)3-2-4-16-12-19-17(9-10-22-19)11-18(16)21/h2-3,5-8,11-12,21H,4,9-10H2,1H3/b3-2+.
What are the key properties of 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone?
1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]phenyl]ethanone is sourced from PubChem (CID 14531155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).