ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C11H12O3 — CID 676946

IUPACethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
InChIKeyZOQCEVXVQCPESC-VMPITWQZSA-N
MW192.21 g/mol
LogP1.97
Rot. Bonds3

About ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 676946) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID676946
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
InChIKeyZOQCEVXVQCPESC-VMPITWQZSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.97
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 ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 676946) is ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is CCOC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is ZOQCEVXVQCPESC-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+.
What are the key properties of ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 676946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).