ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate

C20H22O5 — CID 139713811

IUPACethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(OC(C)=O)c1cccc(OC)c1
InChIInChI=1S/C20H22O5/c1-4-24-20(22)18(15-9-6-5-7-10-15)19(25-14(2)21)16-11-8-12-17(13-16)23-3/h5-13,18-19H,4H2,1-3H3
InChIKeyKUOOPYGLPWFGSI-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.65
Rot. Bonds7

About ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate

ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate (PubChem CID 139713811) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
PubChem CID139713811
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Nameethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(OC(C)=O)c1cccc(OC)c1
InChIInChI=1S/C20H22O5/c1-4-24-20(22)18(15-9-6-5-7-10-15)19(25-14(2)21)16-11-8-12-17(13-16)23-3/h5-13,18-19H,4H2,1-3H3
InChIKeyKUOOPYGLPWFGSI-UHFFFAOYSA-N
XLogP3.65
TPSA61.83 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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl (2R,3S)-3-(3-hydroxypropylamino)-2-(3-methoxyphenyl)butanoate
CID 125466926
ethyl 2-cyano-3-(3-methoxyphenyl)-5-oxohexanoate
CID 10589507
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 2-(3-methoxyphenyl)-3-oxooctanoate
CID 54216163
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
4-(3-methoxyphenyl)-3-methyloctane-2,5-dione
CID 70564422
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
CID 91311967
3-[(3-methoxyphenyl)-phenylmethyl]pentane-2,4-dione
CID 132516605

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate?
The IUPAC name of ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate (CID 139713811) is ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate?
The canonical SMILES for ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate is CCOC(=O)C(c1ccccc1)C(OC(C)=O)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate?
The InChIKey is KUOOPYGLPWFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-4-24-20(22)18(15-9-6-5-7-10-15)19(25-14(2)21)16-11-8-12-17(13-16)23-3/h5-13,18-19H,4H2,1-3H3.
What are the key properties of ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate?
ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate has a molecular weight of 342.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate is sourced from PubChem (CID 139713811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).