2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate

C19H20O4 — CID 92531543

IUPAC2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C\C(=O)OCCc2ccccc2)cc1OC
InChIInChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9-
InChIKeyOHBFHJOQNCVEOU-LUAWRHEFSA-N
MW312.37 g/mol
LogP3.50
Rot. Bonds7

About 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate

2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 92531543) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
PubChem CID92531543
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C\C(=O)OCCc2ccccc2)cc1OC
InChIInChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9-
InChIKeyOHBFHJOQNCVEOU-LUAWRHEFSA-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-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
CID 155112210
2-phenylethyl 3-(3,5-dimethoxy-4-propan-2-ylphenyl)prop-2-enoate
CID 75164827
2-phenylethyl (E)-3-naphthalen-2-ylprop-2-enoate
CID 138558211
2-(4-hydroxyphenyl)ethyl (E)-3-(4-amino-3-methoxyphenyl)prop-2-enoate
CID 127049906
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
2-[2-(methylamino)ethoxy]ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 155475590
(3-chlorophenyl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7668773
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2495798

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate (CID 92531543) is 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(/C=C\C(=O)OCCc2ccccc2)cc1OC.
What is the InChIKey of 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is OHBFHJOQNCVEOU-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9-.
What are the key properties of 2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-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-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 92531543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).