1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone

C14H14O2 — CID 102075615

IUPAC1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone
SMILESCC(=O)C1=C(/C=C/c2ccccc2)COC1
InChIInChI=1S/C14H14O2/c1-11(15)14-10-16-9-13(14)8-7-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7+
InChIKeyUYLIMKRAURCINP-BQYQJAHWSA-N
MW214.26 g/mol
LogP2.62
Rot. Bonds3

About 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone

1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone (PubChem CID 102075615) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone
PubChem CID102075615
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone
SMILESCC(=O)C1=C(/C=C/c2ccccc2)COC1
InChIInChI=1S/C14H14O2/c1-11(15)14-10-16-9-13(14)8-7-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7+
InChIKeyUYLIMKRAURCINP-BQYQJAHWSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;stilbene
CID 172803728
1-[2,3-diacetyl-5-(2-phenylethenyl)phenyl]ethanone
CID 91565814
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
5-methyl-1-phenylhexa-1,4-dien-3-one
CID 73164511
ethyl acetate;stilbene
CID 159556390
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
CID 70567885
CID 70567885
CID 70569152
CID 70569152
stilbene;sulfuric acid
CID 67612140
4-methylpenta-1,3-dienylbenzene
CID 3614395
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone?
The IUPAC name of 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone (CID 102075615) is 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone?
The canonical SMILES for 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone is CC(=O)C1=C(/C=C/c2ccccc2)COC1.
What is the InChIKey of 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone?
The InChIKey is UYLIMKRAURCINP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14O2/c1-11(15)14-10-16-9-13(14)8-7-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7+.
What are the key properties of 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone?
1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone has a molecular weight of 214.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-phenylethenyl]-2,5-dihydrofuran-3-yl]ethanone is sourced from PubChem (CID 102075615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).