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

C20H22O5 — CID 7845885

IUPAC2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(CCOC(=O)/C=C/c2cccc(OC)c2OC)cc1
InChIInChI=1S/C20H22O5/c1-22-17-10-7-15(8-11-17)13-14-25-19(21)12-9-16-5-4-6-18(23-2)20(16)24-3/h4-12H,13-14H2,1-3H3/b12-9+
InChIKeyLZSLGKHTTQBITL-FMIVXFBMSA-N
MW342.39 g/mol
LogP3.51
Rot. Bonds8

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

2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate (PubChem CID 7845885) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
PubChem CID7845885
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(CCOC(=O)/C=C/c2cccc(OC)c2OC)cc1
InChIInChI=1S/C20H22O5/c1-22-17-10-7-15(8-11-17)13-14-25-19(21)12-9-16-5-4-6-18(23-2)20(16)24-3/h4-12H,13-14H2,1-3H3/b12-9+
InChIKeyLZSLGKHTTQBITL-FMIVXFBMSA-N
XLogP3.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.51
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

(3-methylphenyl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8873171
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 3403201
(6-bromonaphthalen-2-yl) (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7927821
[2-[di(propan-2-yl)amino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2416383
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7845974
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2364886
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 3472296
(3-nitrophenyl)methyl 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 4600569
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2365056
2-[3-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]-4-methylphenyl]acetic acid
CID 102464852
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 9491472

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate (CID 7845885) is 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate is COc1ccc(CCOC(=O)/C=C/c2cccc(OC)c2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
The InChIKey is LZSLGKHTTQBITL-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H22O5/c1-22-17-10-7-15(8-11-17)13-14-25-19(21)12-9-16-5-4-6-18(23-2)20(16)24-3/h4-12H,13-14H2,1-3H3/b12-9+.
What are the key properties of 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7845885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).