ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate

C15H18O4 — CID 10084052

IUPACethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
SMILESC=CCOc1ccc(/C=C(\C)C(=O)OCC)cc1O
InChIInChI=1S/C15H18O4/c1-4-8-19-14-7-6-12(10-13(14)16)9-11(3)15(17)18-5-2/h4,6-7,9-10,16H,1,5,8H2,2-3H3/b11-9+
InChIKeyIKDKJEXBZGUJLG-PKNBQFBNSA-N
MW262.30 g/mol
LogP2.92
Rot. Bonds6

About ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate

ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate (PubChem CID 10084052) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
PubChem CID10084052
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
SMILESC=CCOc1ccc(/C=C(\C)C(=O)OCC)cc1O
InChIInChI=1S/C15H18O4/c1-4-8-19-14-7-6-12(10-13(14)16)9-11(3)15(17)18-5-2/h4,6-7,9-10,16H,1,5,8H2,2-3H3/b11-9+
InChIKeyIKDKJEXBZGUJLG-PKNBQFBNSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
(E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoic acid
CID 10444014
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 131745000
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 (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609
ethyl 3-(3-butoxy-4-iodophenyl)-2-methylprop-2-enoate
CID 91243702

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate (CID 10084052) is ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate is C=CCOc1ccc(/C=C(\C)C(=O)OCC)cc1O.
What is the InChIKey of ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate?
The InChIKey is IKDKJEXBZGUJLG-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-8-19-14-7-6-12(10-13(14)16)9-11(3)15(17)18-5-2/h4,6-7,9-10,16H,1,5,8H2,2-3H3/b11-9+.
What are the key properties of ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate?
ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate has a molecular weight of 262.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 10084052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).