propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C12H14O3 — CID 57394809

IUPACpropan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCC(C)OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
InChIKeyWVDDMJTWFGHTGZ-VMPITWQZSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds3

About propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate

propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 57394809) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID57394809
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namepropan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCC(C)OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
InChIKeyWVDDMJTWFGHTGZ-VMPITWQZSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 57394809) is propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate is CC(C)OC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is WVDDMJTWFGHTGZ-VMPITWQZSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+.
What are the key properties of propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 57394809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).