ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate

C22H30O7 — CID 159722272

IUPACethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate
SMILESCC(=O)OCCc1ccccc1.CCOC(=O)C(C)O.COc1ccccc1O
InChIInChI=1S/C10H12O2.C7H8O2.C5H10O3/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-9-7-5-3-2-4-6(7)8;1-3-8-5(7)4(2)6/h2-6H,7-8H2,1H3;2-5,8H,1H3;4,6H,3H2,1-2H3
InChIKeyNAEOMOKURZMTAA-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate

ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate (PubChem CID 159722272) has the molecular formula C22H30O7 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate
PubChem CID159722272
Molecular FormulaC22H30O7
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC Nameethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate
SMILESCC(=O)OCCc1ccccc1.CCOC(=O)C(C)O.COc1ccccc1O
InChIInChI=1S/C10H12O2.C7H8O2.C5H10O3/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-9-7-5-3-2-4-6(7)8;1-3-8-5(7)4(2)6/h2-6H,7-8H2,1H3;2-5,8H,1H3;4,6H,3H2,1-2H3
InChIKeyNAEOMOKURZMTAA-UHFFFAOYSA-N
XLogP3.12
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate?
The IUPAC name of ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate (CID 159722272) is ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate.
What is the SMILES notation for ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate?
The canonical SMILES for ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate is CC(=O)OCCc1ccccc1.CCOC(=O)C(C)O.COc1ccccc1O.
What is the InChIKey of ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate?
The InChIKey is NAEOMOKURZMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C7H8O2.C5H10O3/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-9-7-5-3-2-4-6(7)8;1-3-8-5(7)4(2)6/h2-6H,7-8H2,1H3;2-5,8H,1H3;4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate?
ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate has a molecular weight of 406.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate is sourced from PubChem (CID 159722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).