ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate

C20H22O5 — CID 5379229

IUPACethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(OC)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H22O5/c1-5-25-20(21)11-7-14-12-16(22-2)8-9-17(14)15-6-10-18(23-3)19(13-15)24-4/h6-13H,5H2,1-4H3/b11-7+
InChIKeyRCZRLAPNQADYBJ-YRNVUSSQSA-N
MW342.39 g/mol
LogP3.96
Rot. Bonds7

About ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate

ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate (PubChem CID 5379229) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate
PubChem CID5379229
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Nameethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(OC)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H22O5/c1-5-25-20(21)11-7-14-12-16(22-2)8-9-17(14)15-6-10-18(23-3)19(13-15)24-4/h6-13H,5H2,1-4H3/b11-7+
InChIKeyRCZRLAPNQADYBJ-YRNVUSSQSA-N
XLogP3.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[2-[3-ethyl-4-(3-ethyl-4-methoxyphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342940
ethyl (E)-3-[2-[3-formyl-4-(3-methylphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342690
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (E)-3-[2-[3-formyl-4-[3-(trifluoromethyl)phenyl]phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342694
ethyl (E)-3-[2-(4-methoxyphenyl)-5-nitrophenyl]prop-2-enoate
CID 177429908
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-(2,6,7-trimethoxyphenanthren-9-yl)prop-2-enoate
CID 71534224
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate (CID 5379229) is ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate is CCOC(=O)/C=C/c1cc(OC)ccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate?
The InChIKey is RCZRLAPNQADYBJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H22O5/c1-5-25-20(21)11-7-14-12-16(22-2)8-9-17(14)15-6-10-18(23-3)19(13-15)24-4/h6-13H,5H2,1-4H3/b11-7+.
What are the key properties of ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate?
ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(3,4-dimethoxyphenyl)-5-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 5379229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).