2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate

C19H20O4 — CID 155112210

IUPAC2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
SMILESCOc1ccc(CCOC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)12-13-23-19(20)11-9-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
InChIKeyWXFSHZODXXNSEC-PKNBQFBNSA-N
MW312.37 g/mol
LogP3.50
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate

2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate (PubChem CID 155112210) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
PubChem CID155112210
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
SMILESCOc1ccc(CCOC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)12-13-23-19(20)11-9-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
InChIKeyWXFSHZODXXNSEC-PKNBQFBNSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.50
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

2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 92531543
2-(4-hydroxy-3-methylphenyl)ethyl (Z)-3-phenylprop-2-enoate
CID 165006275
3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate
CID 5357048
[4-[(carbamoylamino)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 174233945
2-phenylethyl 3-(3,5-dimethoxy-4-propan-2-ylphenyl)prop-2-enoate
CID 75164827
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
(3,4-dimethoxyphenyl)methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 9097097
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71823318
2-(3-ethoxy-4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 146223044
ethyl (E)-3-[2-(3,4-dimethoxyphenyl)ethoxy]prop-2-enoate
CID 134861074
2-(4-hydroxyphenyl)ethyl (E)-3-(4-amino-3-methoxyphenyl)prop-2-enoate
CID 127049906
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542409

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate (CID 155112210) is 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate is COc1ccc(CCOC(=O)/C=C/c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate?
The InChIKey is WXFSHZODXXNSEC-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)12-13-23-19(20)11-9-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate?
2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 155112210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).