ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate

C19H20O4 — CID 102309809

IUPACethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccc(OC)cc1)c1ccccc1OC
InChIInChI=1S/C19H20O4/c1-4-23-19(20)13-17(14-9-11-15(21-2)12-10-14)16-7-5-6-8-18(16)22-3/h5-13H,4H2,1-3H3/b17-13+
InChIKeyPKWJEKFJFQDGOI-GHRIWEEISA-N
MW312.37 g/mol
LogP3.70
Rot. Bonds6

About ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate

ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 102309809) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID102309809
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccc(OC)cc1)c1ccccc1OC
InChIInChI=1S/C19H20O4/c1-4-23-19(20)13-17(14-9-11-15(21-2)12-10-14)16-7-5-6-8-18(16)22-3/h5-13H,4H2,1-3H3/b17-13+
InChIKeyPKWJEKFJFQDGOI-GHRIWEEISA-N
XLogP3.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate
CID 10779406
ethyl (E)-3-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871149
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
CID 54221000
methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 14347267
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
ethyl (E)-3-(dibenzylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 166069435
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate (CID 102309809) is ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate is CCOC(=O)/C=C(\c1ccc(OC)cc1)c1ccccc1OC.
What is the InChIKey of ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is PKWJEKFJFQDGOI-GHRIWEEISA-N. The full InChI is InChI=1S/C19H20O4/c1-4-23-19(20)13-17(14-9-11-15(21-2)12-10-14)16-7-5-6-8-18(16)22-3/h5-13H,4H2,1-3H3/b17-13+.
What are the key properties of ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate?
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 102309809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).