ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate

C14H18O5 — CID 67318536

IUPACethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C14H18O5/c1-5-19-14(16)9(2)6-10-7-11(17-3)13(15)12(8-10)18-4/h6-8,15H,5H2,1-4H3
InChIKeyLXXBLZMJVANTOQ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.38
Rot. Bonds5

About ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate

ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate (PubChem CID 67318536) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
PubChem CID67318536
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C14H18O5/c1-5-19-14(16)9(2)6-10-7-11(17-3)13(15)12(8-10)18-4/h6-8,15H,5H2,1-4H3
InChIKeyLXXBLZMJVANTOQ-UHFFFAOYSA-N
XLogP2.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3-amino-4-hydroxy-5-methoxyphenyl)-2-methylprop-2-enoate
CID 70541669
ethyl (E)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 139784419
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
ethyl (E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10467872
pentyl 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-oxobutanoate
CID 69098741
propyl (2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-oxopentanoate
CID 25012932
didodecyl 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedioate
CID 10167699
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate (CID 67318536) is ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate is CCOC(=O)C(C)=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate?
The InChIKey is LXXBLZMJVANTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-5-19-14(16)9(2)6-10-7-11(17-3)13(15)12(8-10)18-4/h6-8,15H,5H2,1-4H3.
What are the key properties of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate?
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate has a molecular weight of 266.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 67318536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).