ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate

C18H18O3 — CID 134119528

IUPACethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
SMILESCCOC(=O)/C(=C(\O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-21-18(20)17(15-11-7-4-8-12-15)16(19)13-14-9-5-3-6-10-14/h3-12,19H,2,13H2,1H3/b17-16-
InChIKeyJKFDSTGMYMFUJJ-MSUUIHNZSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds5

About ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate

ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate (PubChem CID 134119528) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
PubChem CID134119528
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
SMILESCCOC(=O)/C(=C(\O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-21-18(20)17(15-11-7-4-8-12-15)16(19)13-14-9-5-3-6-10-14/h3-12,19H,2,13H2,1H3/b17-16-
InChIKeyJKFDSTGMYMFUJJ-MSUUIHNZSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
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

ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2,3-diphenylbut-2-enoate
CID 175493323
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
diethyl (Z)-2-phenyl-3-(2-phenylethyl)but-2-enedioate
CID 154407365
ethyl (E)-2-benzyl-3-phenylbut-2-enoate
CID 12996325
ethyl 3-phenyl-2-sulfanylidenepropanoate
CID 54295653
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
ethyl 2-phenylacetate
CID 7590
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
CID 101468495
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
azane;ethyl 2,3-dimethyl-4-phenylbut-2-enoate
CID 175226549

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate?
The IUPAC name of ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate (CID 134119528) is ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate?
The canonical SMILES for ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate is CCOC(=O)/C(=C(\O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate?
The InChIKey is JKFDSTGMYMFUJJ-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-21-18(20)17(15-11-7-4-8-12-15)16(19)13-14-9-5-3-6-10-14/h3-12,19H,2,13H2,1H3/b17-16-.
What are the key properties of ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate?
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate is sourced from PubChem (CID 134119528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).