ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate

C14H18O4 — CID 86626101

IUPACethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1ccc(O)c(OCC)c1
InChIInChI=1S/C14H18O4/c1-4-17-13-9-11(6-7-12(13)15)8-10(3)14(16)18-5-2/h6-9,15H,4-5H2,1-3H3/b10-8+
InChIKeyIIYAEARVASDJNQ-CSKARUKUSA-N
MW250.29 g/mol
LogP2.76
Rot. Bonds5

About ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate

ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate (PubChem CID 86626101) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
PubChem CID86626101
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1ccc(O)c(OCC)c1
InChIInChI=1S/C14H18O4/c1-4-17-13-9-11(6-7-12(13)15)8-10(3)14(16)18-5-2/h6-9,15H,4-5H2,1-3H3/b10-8+
InChIKeyIIYAEARVASDJNQ-CSKARUKUSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10467872
ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10084052
ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate
CID 59034792
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
ethyl 3-(3-butoxy-4-iodophenyl)-2-methylprop-2-enoate
CID 91243702
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
ethyl 3-(3-amino-4-hydroxy-5-methoxyphenyl)-2-methylprop-2-enoate
CID 70541669
(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate (CID 86626101) is ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/c1ccc(O)c(OCC)c1.
What is the InChIKey of ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate?
The InChIKey is IIYAEARVASDJNQ-CSKARUKUSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-17-13-9-11(6-7-12(13)15)8-10(3)14(16)18-5-2/h6-9,15H,4-5H2,1-3H3/b10-8+.
What are the key properties of ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate?
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 86626101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).