methyl [(E)-3-phenylprop-2-enyl] carbonate

C11H12O3 — CID 10035469

IUPACmethyl [(E)-3-phenylprop-2-enyl] carbonate
SMILESCOC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C11H12O3/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyNXPVXGMVVNYCGZ-VMPITWQZSA-N
MW192.21 g/mol
LogP2.48
Rot. Bonds3

About methyl [(E)-3-phenylprop-2-enyl] carbonate

methyl [(E)-3-phenylprop-2-enyl] carbonate (PubChem CID 10035469) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl [(E)-3-phenylprop-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-3-phenylprop-2-enyl] carbonate
PubChem CID10035469
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl [(E)-3-phenylprop-2-enyl] carbonate
SMILESCOC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C11H12O3/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyNXPVXGMVVNYCGZ-VMPITWQZSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl [(E)-3-phenylprop-2-enyl] carbonate?
The IUPAC name of methyl [(E)-3-phenylprop-2-enyl] carbonate (CID 10035469) is methyl [(E)-3-phenylprop-2-enyl] carbonate.
What is the SMILES notation for methyl [(E)-3-phenylprop-2-enyl] carbonate?
The canonical SMILES for methyl [(E)-3-phenylprop-2-enyl] carbonate is COC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of methyl [(E)-3-phenylprop-2-enyl] carbonate?
The InChIKey is NXPVXGMVVNYCGZ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+.
What are the key properties of methyl [(E)-3-phenylprop-2-enyl] carbonate?
methyl [(E)-3-phenylprop-2-enyl] carbonate has a molecular weight of 192.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-3-phenylprop-2-enyl] carbonate is sourced from PubChem (CID 10035469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).