propan-2-yl (E)-3-phenylprop-2-enoate

C12H14O2 — CID 5273464

IUPACpropan-2-yl (E)-3-phenylprop-2-enoate
SMILESCC(C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyRGACABDFLVLVCT-CMDGGOBGSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds3

About propan-2-yl (E)-3-phenylprop-2-enoate

propan-2-yl (E)-3-phenylprop-2-enoate (PubChem CID 5273464) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is propan-2-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-3-phenylprop-2-enoate
PubChem CID5273464
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namepropan-2-yl (E)-3-phenylprop-2-enoate
SMILESCC(C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyRGACABDFLVLVCT-CMDGGOBGSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 5281565
CID 5281565
CID 5282110
CID 5282110
CID 637520
CID 637520
CID 637758
CID 637758
CID 250096
CID 250096
CID 10220256
CID 10220256
CID 5355851
CID 5355851
CID 5273621
CID 5273621
CID 5355858
CID 5355858
CID 5273467
CID 5273467
CID 641423
CID 641423
CID 778574
CID 778574

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of propan-2-yl (E)-3-phenylprop-2-enoate (CID 5273464) is propan-2-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for propan-2-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for propan-2-yl (E)-3-phenylprop-2-enoate is CC(C)OC(=O)/C=C/c1ccccc1.
What is the InChIKey of propan-2-yl (E)-3-phenylprop-2-enoate?
The InChIKey is RGACABDFLVLVCT-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+.
What are the key properties of propan-2-yl (E)-3-phenylprop-2-enoate?
propan-2-yl (E)-3-phenylprop-2-enoate 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 propan-2-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5273464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).