[(E)-but-2-en-2-yl] phenyl carbonate

C11H12O3 — CID 121217638

IUPAC[(E)-but-2-en-2-yl] phenyl carbonate
SMILESC/C=C(\C)OC(=O)Oc1ccccc1
InChIInChI=1S/C11H12O3/c1-3-9(2)13-11(12)14-10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+
InChIKeyWKHKFIPZBUBFIJ-YCRREMRBSA-N
MW192.21 g/mol
LogP3.13
Rot. Bonds2

About [(E)-but-2-en-2-yl] phenyl carbonate

[(E)-but-2-en-2-yl] phenyl carbonate (PubChem CID 121217638) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl] phenyl carbonate.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl] phenyl carbonate
PubChem CID121217638
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[(E)-but-2-en-2-yl] phenyl carbonate
SMILESC/C=C(\C)OC(=O)Oc1ccccc1
InChIInChI=1S/C11H12O3/c1-3-9(2)13-11(12)14-10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+
InChIKeyWKHKFIPZBUBFIJ-YCRREMRBSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

phenoxycarbonyl 2-methylbut-2-enoate
CID 175490227
diphenyl carbonate;phenyl acetate
CID 90936233
diphenyl carbonate;ethane;molecular iodine
CID 159087497
azane;carbamoyl phenyl carbonate
CID 175328775
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
buta-1,3-diene;diphenyl carbonate
CID 87173366
ethane;methyl phenyl carbonate
CID 91113838
O-phenoxycarbonyl chloromethanethioate
CID 150306756
phenyl acetate;hydroiodide
CID 172788123
(4-phenylphenyl) prop-1-en-2-yl carbonate
CID 167089525
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
sodium;hydride;phenyl acetate
CID 159991718

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl] phenyl carbonate?
The IUPAC name of [(E)-but-2-en-2-yl] phenyl carbonate (CID 121217638) is [(E)-but-2-en-2-yl] phenyl carbonate.
What is the SMILES notation for [(E)-but-2-en-2-yl] phenyl carbonate?
The canonical SMILES for [(E)-but-2-en-2-yl] phenyl carbonate is C/C=C(\C)OC(=O)Oc1ccccc1.
What is the InChIKey of [(E)-but-2-en-2-yl] phenyl carbonate?
The InChIKey is WKHKFIPZBUBFIJ-YCRREMRBSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-9(2)13-11(12)14-10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+.
What are the key properties of [(E)-but-2-en-2-yl] phenyl carbonate?
[(E)-but-2-en-2-yl] phenyl carbonate has a molecular weight of 192.21 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl] phenyl carbonate is sourced from PubChem (CID 121217638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).