ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate

C11H12O3 — CID 12898650

IUPACethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\O)c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-
InChIKeyZQCUSIHDKTWLTA-NTMALXAHSA-N
MW192.21 g/mol
LogP2.15
Rot. Bonds3

About ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate

ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate (PubChem CID 12898650) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
PubChem CID12898650
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C\O)c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-
InChIKeyZQCUSIHDKTWLTA-NTMALXAHSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate;bis((Z)-4-hydroxy-4-phenylbut-3-en-2-one);iron
CID 91872950
ethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 71440543
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl 2-phenylpent-2-enoate
CID 148550128
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
diethyl (E)-4,4-difluoro-2-phenylpent-2-enedioate
CID 162408755
triethyl (1Z,3E)-3-phenylbuta-1,3-diene-1,2,4-tricarboxylate
CID 102274076
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate (CID 12898650) is ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate is CCOC(=O)/C(=C\O)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate?
The InChIKey is ZQCUSIHDKTWLTA-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-8,12H,2H2,1H3/b10-8-.
What are the key properties of ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate?
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate is sourced from PubChem (CID 12898650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).