ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate

C21H24O6 — CID 10833081

IUPACethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate
SMILESCCOC(=O)C(OC(C)=O)C(Oc1ccc(C)cc1OC)c1ccccc1
InChIInChI=1S/C21H24O6/c1-5-25-21(23)20(26-15(3)22)19(16-9-7-6-8-10-16)27-17-12-11-14(2)13-18(17)24-4/h6-13,19-20H,5H2,1-4H3
InChIKeyJWQGODQELAGGLL-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.62
Rot. Bonds8

About ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate

ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate (PubChem CID 10833081) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate
PubChem CID10833081
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Nameethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate
SMILESCCOC(=O)C(OC(C)=O)C(Oc1ccc(C)cc1OC)c1ccccc1
InChIInChI=1S/C21H24O6/c1-5-25-21(23)20(26-15(3)22)19(16-9-7-6-8-10-16)27-17-12-11-14(2)13-18(17)24-4/h6-13,19-20H,5H2,1-4H3
InChIKeyJWQGODQELAGGLL-UHFFFAOYSA-N
XLogP3.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
CID 99864693
ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride
CID 23458283
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 62451213
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
CID 139713811
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
[4-[(1R,2S)-3-ethoxy-1-hydroxy-2-(2-methoxyphenoxy)-3-oxopropyl]-2-methoxyphenyl] benzoate
CID 53242446
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate?
The IUPAC name of ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate (CID 10833081) is ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate is CCOC(=O)C(OC(C)=O)C(Oc1ccc(C)cc1OC)c1ccccc1.
What is the InChIKey of ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate?
The InChIKey is JWQGODQELAGGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-5-25-21(23)20(26-15(3)22)19(16-9-7-6-8-10-16)27-17-12-11-14(2)13-18(17)24-4/h6-13,19-20H,5H2,1-4H3.
What are the key properties of ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate?
ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate has a molecular weight of 372.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate is sourced from PubChem (CID 10833081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).