(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate

C14H16O3 — CID 54174138

IUPAC(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)C=Cc1ccccc1
InChIInChI=1S/C14H16O3/c1-11(2)14(16)17-10-13(15)9-8-12-6-4-3-5-7-12/h3-9,13,15H,1,10H2,2H3
InChIKeyOXBHRHYWLJKCDK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.18
Rot. Bonds5

About (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate

(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate (PubChem CID 54174138) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
PubChem CID54174138
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)C=Cc1ccccc1
InChIInChI=1S/C14H16O3/c1-11(2)14(16)17-10-13(15)9-8-12-6-4-3-5-7-12/h3-9,13,15H,1,10H2,2H3
InChIKeyOXBHRHYWLJKCDK-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.18
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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Related Compounds

(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 175194257
ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
CID 10752945
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
CID 70229754
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[3-oxo-3-[4-(2-phenylethenyl)phenoxy]propyl] 2-methylprop-2-enoate
CID 118976656
(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939
[(E)-4,4-dimethyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate
CID 167189015
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
sodium;2-aminoprop-2-enyl 2-methylprop-2-enoate;2-phenylethenesulfonate
CID 173393289
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
methyl (2E,5R,6E)-5-hydroxy-2-methyl-7-phenylhepta-2,6-dienoate
CID 101254320

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate (CID 54174138) is (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)C=Cc1ccccc1.
What is the InChIKey of (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
The InChIKey is OXBHRHYWLJKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-11(2)14(16)17-10-13(15)9-8-12-6-4-3-5-7-12/h3-9,13,15H,1,10H2,2H3.
What are the key properties of (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 54174138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).