ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate

C15H20O4 — CID 143092770

IUPACethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1cccc(/C=C/CO)c1
InChIInChI=1S/C15H20O4/c1-4-18-14(17)15(2,3)19-13-9-5-7-12(11-13)8-6-10-16/h5-9,11,16H,4,10H2,1-3H3/b8-6+
InChIKeyWJWVWIKBWBXISG-SOFGYWHQSA-N
MW264.32 g/mol
LogP2.41
Rot. Bonds6

About ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate

ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate (PubChem CID 143092770) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
PubChem CID143092770
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1cccc(/C=C/CO)c1
InChIInChI=1S/C15H20O4/c1-4-18-14(17)15(2,3)19-13-9-5-7-12(11-13)8-6-10-16/h5-9,11,16H,4,10H2,1-3H3/b8-6+
InChIKeyWJWVWIKBWBXISG-SOFGYWHQSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
ethyl 2-(3-isocyanophenoxy)-2-methylpropanoate
CID 58009621
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
ethyl 2-[4-[3-(2-cyanoethenyl)phenoxy]-2-methylphenoxy]-2-methylpropanoate
CID 69121808
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
tert-butyl 2-[3-(3-ethoxy-3-oxopropyl)phenoxy]-2-methylpropanoate
CID 18766548
[3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulfate
CID 131838907
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
ethyl 2-methyl-2-[4-[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoxy]phenoxy]propanoate
CID 58816032
diethyl 2-methyl-2-[3-(2-phenylethenyl)phenyl]propanedioate
CID 71380723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate (CID 143092770) is ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1cccc(/C=C/CO)c1.
What is the InChIKey of ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate?
The InChIKey is WJWVWIKBWBXISG-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-18-14(17)15(2,3)19-13-9-5-7-12(11-13)8-6-10-16/h5-9,11,16H,4,10H2,1-3H3/b8-6+.
What are the key properties of ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate?
ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 143092770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).