(2-methyl-3-phenylprop-2-enyl) acetate

C12H14O2 — CID 3085847

IUPAC(2-methyl-3-phenylprop-2-enyl) acetate
SMILESCC(=O)OCC(C)=Cc1ccccc1
InChIInChI=1S/C12H14O2/c1-10(9-14-11(2)13)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyBWYPZPVVNMYMKA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds3

About (2-methyl-3-phenylprop-2-enyl) acetate

(2-methyl-3-phenylprop-2-enyl) acetate (PubChem CID 3085847) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2-methyl-3-phenylprop-2-enyl) acetate.

Molecular Properties

Compound Name(2-methyl-3-phenylprop-2-enyl) acetate
PubChem CID3085847
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2-methyl-3-phenylprop-2-enyl) acetate
SMILESCC(=O)OCC(C)=Cc1ccccc1
InChIInChI=1S/C12H14O2/c1-10(9-14-11(2)13)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyBWYPZPVVNMYMKA-UHFFFAOYSA-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 (2-methyl-3-phenylprop-2-enyl) acetate?
The IUPAC name of (2-methyl-3-phenylprop-2-enyl) acetate (CID 3085847) is (2-methyl-3-phenylprop-2-enyl) acetate.
What is the SMILES notation for (2-methyl-3-phenylprop-2-enyl) acetate?
The canonical SMILES for (2-methyl-3-phenylprop-2-enyl) acetate is CC(=O)OCC(C)=Cc1ccccc1.
What is the InChIKey of (2-methyl-3-phenylprop-2-enyl) acetate?
The InChIKey is BWYPZPVVNMYMKA-UHFFFAOYSA-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.
What are the key properties of (2-methyl-3-phenylprop-2-enyl) acetate?
(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 (2-methyl-3-phenylprop-2-enyl) acetate is sourced from PubChem (CID 3085847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).