ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate

C15H20O4 — CID 175144523

IUPACethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1cccc(OCCOC)c1
InChIInChI=1S/C15H20O4/c1-4-18-15(16)12(2)10-13-6-5-7-14(11-13)19-9-8-17-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyZRCWNMJFFMHRKZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.68
Rot. Bonds7

About ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate

ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate (PubChem CID 175144523) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate
PubChem CID175144523
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1cccc(OCCOC)c1
InChIInChI=1S/C15H20O4/c1-4-18-15(16)12(2)10-13-6-5-7-14(11-13)19-9-8-17-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyZRCWNMJFFMHRKZ-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
ethyl (E)-2-methyl-3-(3-methylsulfonylphenyl)prop-2-enoate
CID 139784414
(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 54848318
(E)-2-methyl-3-(3-tetradecoxyphenyl)prop-2-enoic acid
CID 12636970
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 5376699

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate (CID 175144523) is ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate is CCOC(=O)C(C)=Cc1cccc(OCCOC)c1.
What is the InChIKey of ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate?
The InChIKey is ZRCWNMJFFMHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-18-15(16)12(2)10-13-6-5-7-14(11-13)19-9-8-17-3/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate?
ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate is sourced from PubChem (CID 175144523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).