1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone

C12H14O3 — CID 137052710

IUPAC1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone
SMILESCC=Cc1oc(O)c(C(C)=O)c1C=CC
InChIInChI=1S/C12H14O3/c1-4-6-9-10(7-5-2)15-12(14)11(9)8(3)13/h4-7,14H,1-3H3
InChIKeyCRMODUKESMICEO-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone

1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone (PubChem CID 137052710) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone
PubChem CID137052710
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone
SMILESCC=Cc1oc(O)c(C(C)=O)c1C=CC
InChIInChI=1S/C12H14O3/c1-4-6-9-10(7-5-2)15-12(14)11(9)8(3)13/h4-7,14H,1-3H3
InChIKeyCRMODUKESMICEO-UHFFFAOYSA-N
XLogP3.25
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone?
The IUPAC name of 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone (CID 137052710) is 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone is CC=Cc1oc(O)c(C(C)=O)c1C=CC.
What is the InChIKey of 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone?
The InChIKey is CRMODUKESMICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-6-9-10(7-5-2)15-12(14)11(9)8(3)13/h4-7,14H,1-3H3.
What are the key properties of 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone?
1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone has a molecular weight of 206.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4,5-bis(prop-1-enyl)furan-3-yl]ethanone is sourced from PubChem (CID 137052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).