1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone

C16H20O3 — CID 11817824

IUPAC1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/COC2CCCCO2)cc1
InChIInChI=1S/C16H20O3/c1-13(17)15-9-7-14(8-10-15)5-4-12-19-16-6-2-3-11-18-16/h4-5,7-10,16H,2-3,6,11-12H2,1H3/b5-4+
InChIKeyWAKDTFYUCNSYAC-SNAWJCMRSA-N
MW260.33 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone

1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone (PubChem CID 11817824) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
PubChem CID11817824
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/COC2CCCCO2)cc1
InChIInChI=1S/C16H20O3/c1-13(17)15-9-7-14(8-10-15)5-4-12-19-16-6-2-3-11-18-16/h4-5,7-10,16H,2-3,6,11-12H2,1H3/b5-4+
InChIKeyWAKDTFYUCNSYAC-SNAWJCMRSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone (CID 11817824) is 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/COC2CCCCO2)cc1.
What is the InChIKey of 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone?
The InChIKey is WAKDTFYUCNSYAC-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H20O3/c1-13(17)15-9-7-14(8-10-15)5-4-12-19-16-6-2-3-11-18-16/h4-5,7-10,16H,2-3,6,11-12H2,1H3/b5-4+.
What are the key properties of 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone?
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone has a molecular weight of 260.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone is sourced from PubChem (CID 11817824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).