but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate

C13H14O3 — CID 142738218

IUPACbut-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate
SMILESCCC=COC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C13H14O3/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h3-10,14H,2H2,1H3
InChIKeyNXLKRPUYSUVKKQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.87
Rot. Bonds4

About but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate

but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 142738218) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namebut-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID142738218
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namebut-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate
SMILESCCC=COC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C13H14O3/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h3-10,14H,2H2,1H3
InChIKeyNXLKRPUYSUVKKQ-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367
[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
CID 58975815
hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
CID 101219702
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate
CID 151965214
[2-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 90833706
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 85318213

Frequently Asked Questions

What is the IUPAC name of but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate (CID 142738218) is but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate is CCC=COC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is NXLKRPUYSUVKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h3-10,14H,2H2,1H3.
What are the key properties of but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate?
but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 142738218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).