ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate

C18H18O2 — CID 142533031

IUPACethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-20-18(19)14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3/b9-8+
InChIKeyIGKVPZNDRWOSGW-CMDGGOBGSA-N
MW266.34 g/mol
LogP3.96
Rot. Bonds5

About ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate

ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate (PubChem CID 142533031) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
PubChem CID142533031
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-20-18(19)14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3/b9-8+
InChIKeyIGKVPZNDRWOSGW-CMDGGOBGSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-[(E)-2-[3-[(E)-2-[4-(2-ethoxy-2-oxoethyl)phenyl]ethenyl]-5-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetate
CID 135273843
ethyl carbamate;stilbene
CID 175156091
ethyl acetate;stilbene
CID 159556390
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361
ethyl 2-(4-isocyanophenyl)acetate
CID 20780504
ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
CID 58403196
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate (CID 142533031) is ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate is CCOC(=O)Cc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate?
The InChIKey is IGKVPZNDRWOSGW-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-18(19)14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3/b9-8+.
What are the key properties of ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate?
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate has a molecular weight of 266.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate is sourced from PubChem (CID 142533031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).