methyl (E)-5-hydroxy-4-phenylpent-2-enoate

C12H14O3 — CID 11041917

IUPACmethyl (E)-5-hydroxy-4-phenylpent-2-enoate
SMILESCOC(=O)/C=C/C(CO)c1ccccc1
InChIInChI=1S/C12H14O3/c1-15-12(14)8-7-11(9-13)10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/b8-7+
InChIKeyCVKKLIODPRJHBW-BQYQJAHWSA-N
MW206.24 g/mol
LogP1.49
Rot. Bonds4

About methyl (E)-5-hydroxy-4-phenylpent-2-enoate

methyl (E)-5-hydroxy-4-phenylpent-2-enoate (PubChem CID 11041917) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (E)-5-hydroxy-4-phenylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-hydroxy-4-phenylpent-2-enoate
PubChem CID11041917
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (E)-5-hydroxy-4-phenylpent-2-enoate
SMILESCOC(=O)/C=C/C(CO)c1ccccc1
InChIInChI=1S/C12H14O3/c1-15-12(14)8-7-11(9-13)10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/b8-7+
InChIKeyCVKKLIODPRJHBW-BQYQJAHWSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.49
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

methyl (E,4S,5R)-5-methoxy-4-methyl-5-phenylpent-2-enoate
CID 134943373
methyl (E,4R,5S)-5-(methoxycarbonylamino)-4-methyl-5-phenylpent-2-enoate
CID 102524757
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
methyl (E)-5-hydroxy-4-(4-hydroxy-2-methylphenyl)pent-2-enoate
CID 10466633
methyl (Z,4S)-4-methyl-5-phenylsulfanylpent-2-enoate
CID 11139120
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
ethyl (E)-6-bromo-4-phenylhex-2-enoate
CID 102293722
ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate
CID 102022005
methyl (Z,4R,5R,7R)-7,8-dihydroxy-4-methyl-5-phenylmethoxyoct-2-enoate
CID 10913862
methyl (E,4R)-8-hydroxy-4-phenylmethoxyoct-2-enoate
CID 11832740
methyl (E,4R,5S)-4-hydroxy-5-phenylmethoxyhex-2-enoate
CID 102198306
methyl (E)-3-diphenylphosphanylprop-2-enoate
CID 15878850

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-hydroxy-4-phenylpent-2-enoate?
The IUPAC name of methyl (E)-5-hydroxy-4-phenylpent-2-enoate (CID 11041917) is methyl (E)-5-hydroxy-4-phenylpent-2-enoate.
What is the SMILES notation for methyl (E)-5-hydroxy-4-phenylpent-2-enoate?
The canonical SMILES for methyl (E)-5-hydroxy-4-phenylpent-2-enoate is COC(=O)/C=C/C(CO)c1ccccc1.
What is the InChIKey of methyl (E)-5-hydroxy-4-phenylpent-2-enoate?
The InChIKey is CVKKLIODPRJHBW-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)8-7-11(9-13)10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/b8-7+.
What are the key properties of methyl (E)-5-hydroxy-4-phenylpent-2-enoate?
methyl (E)-5-hydroxy-4-phenylpent-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-hydroxy-4-phenylpent-2-enoate is sourced from PubChem (CID 11041917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).