ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate

C19H20O4 — CID 21190809

IUPACethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
SMILESCCOC(=O)c1ccccc1/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H20O4/c1-4-23-19(20)16-8-6-5-7-15(16)11-9-14-10-12-17(21-2)18(13-14)22-3/h5-13H,4H2,1-3H3/b11-9+
InChIKeyADBDYTLKXOZYFI-PKNBQFBNSA-N
MW312.37 g/mol
LogP4.05
Rot. Bonds6

About ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate

ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate (PubChem CID 21190809) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
PubChem CID21190809
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
SMILESCCOC(=O)c1ccccc1/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H20O4/c1-4-23-19(20)16-8-6-5-7-15(16)11-9-14-10-12-17(21-2)18(13-14)22-3/h5-13H,4H2,1-3H3/b11-9+
InChIKeyADBDYTLKXOZYFI-PKNBQFBNSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrrole-3-carboxylate
CID 23567916
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
CID 71418980
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-5-phenylthiophene-3-carboxylate
CID 4602027
ethyl 2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 139840019
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 5-amino-2-methoxybenzoate
CID 22180184
4-[2-(2-ethylphenyl)ethenyl]-2-methoxyphenol
CID 175950011
(E)-1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8833056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate?
The IUPAC name of ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate (CID 21190809) is ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate.
What is the SMILES notation for ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate?
The canonical SMILES for ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate is CCOC(=O)c1ccccc1/C=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate?
The InChIKey is ADBDYTLKXOZYFI-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-23-19(20)16-8-6-5-7-15(16)11-9-14-10-12-17(21-2)18(13-14)22-3/h5-13H,4H2,1-3H3/b11-9+.
What are the key properties of ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate?
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate is sourced from PubChem (CID 21190809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).