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

C12H14O2 — CID 6450434

IUPAC[(E)-2-methyl-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(9-14-11(2)13)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+
InChIKeyBWYPZPVVNMYMKA-CSKARUKUSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds3

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

[(E)-2-methyl-3-phenylprop-2-enyl] acetate (PubChem CID 6450434) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(E)-2-methyl-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-methyl-3-phenylprop-2-enyl] acetate
PubChem CID6450434
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(E)-2-methyl-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(9-14-11(2)13)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+
InChIKeyBWYPZPVVNMYMKA-CSKARUKUSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methyl-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(E)-2-methyl-3-phenylprop-2-enyl] acetate (CID 6450434) is [(E)-2-methyl-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-2-methyl-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(E)-2-methyl-3-phenylprop-2-enyl] acetate is CC(=O)OC/C(C)=C/c1ccccc1.
What is the InChIKey of [(E)-2-methyl-3-phenylprop-2-enyl] acetate?
The InChIKey is BWYPZPVVNMYMKA-CSKARUKUSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(9-14-11(2)13)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+.
What are the key properties of [(E)-2-methyl-3-phenylprop-2-enyl] acetate?
[(E)-2-methyl-3-phenylprop-2-enyl] acetate has a molecular weight of 190.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methyl-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 6450434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).