ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate

C18H18O3 — CID 85223132

IUPACethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)C=C(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-3-21-18(19)13-17(14-7-5-4-6-8-14)15-9-11-16(20-2)12-10-15/h4-13H,3H2,1-2H3
InChIKeyYGNIDPLDQNAAAK-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds5

About ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate

ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate (PubChem CID 85223132) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
PubChem CID85223132
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Nameethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)C=C(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-3-21-18(19)13-17(14-7-5-4-6-8-14)15-9-11-16(20-2)12-10-15/h4-13H,3H2,1-2H3
InChIKeyYGNIDPLDQNAAAK-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
ethyl (E)-3-(dibenzylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 166069435
ethyl (Z)-3-(4-methoxyanilino)-4-oxo-4-phenylbut-2-enoate
CID 118156749
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl 5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
CID 13200807
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate (CID 85223132) is ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate is CCOC(=O)C=C(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate?
The InChIKey is YGNIDPLDQNAAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-18(19)13-17(14-7-5-4-6-8-14)15-9-11-16(20-2)12-10-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate?
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 85223132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).