(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate

C16H16O4 — CID 132510099

IUPAC(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate
SMILESCc1cc(OC(=O)OC/C=C/c2ccccc2)c(C)o1
InChIInChI=1S/C16H16O4/c1-12-11-15(13(2)19-12)20-16(17)18-10-6-9-14-7-4-3-5-8-14/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeyQCVDENIOYLRSEY-RMKNXTFCSA-N
MW272.30 g/mol
LogP4.13
Rot. Bonds4

About (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate

(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate (PubChem CID 132510099) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate
PubChem CID132510099
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate
SMILESCc1cc(OC(=O)OC/C=C/c2ccccc2)c(C)o1
InChIInChI=1S/C16H16O4/c1-12-11-15(13(2)19-12)20-16(17)18-10-6-9-14-7-4-3-5-8-14/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeyQCVDENIOYLRSEY-RMKNXTFCSA-N
XLogP4.13
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate?
The IUPAC name of (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate (CID 132510099) is (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate.
What is the SMILES notation for (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate?
The canonical SMILES for (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate is Cc1cc(OC(=O)OC/C=C/c2ccccc2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate?
The InChIKey is QCVDENIOYLRSEY-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H16O4/c1-12-11-15(13(2)19-12)20-16(17)18-10-6-9-14-7-4-3-5-8-14/h3-9,11H,10H2,1-2H3/b9-6+.
What are the key properties of (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate?
(2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate has a molecular weight of 272.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl) [(E)-3-phenylprop-2-enyl] carbonate is sourced from PubChem (CID 132510099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).