[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

C20H20O5 — CID 8526137

IUPAC[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C20H20O5/c1-15(21)17-10-11-18(19(13-17)23-2)25-14-20(22)24-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12,14H2,1-2H3/b9-6+
InChIKeyYWMSFFIFBVURII-RMKNXTFCSA-N
MW340.38 g/mol
LogP3.53
Rot. Bonds8

About [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 8526137) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID8526137
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C20H20O5/c1-15(21)17-10-11-18(19(13-17)23-2)25-14-20(22)24-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12,14H2,1-2H3/b9-6+
InChIKeyYWMSFFIFBVURII-RMKNXTFCSA-N
XLogP3.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7486792
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539752
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902722
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539686
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
[(E)-3-phenylprop-2-enyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681322
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
CID 23996757

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 8526137) is [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1cc(C(C)=O)ccc1OCC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is YWMSFFIFBVURII-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H20O5/c1-15(21)17-10-11-18(19(13-17)23-2)25-14-20(22)24-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12,14H2,1-2H3/b9-6+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 340.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 8526137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).