methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate

C14H18O5 — CID 122582556

IUPACmethyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/OCCOCCO)cc1
InChIInChI=1S/C14H18O5/c1-17-14(16)13-4-2-12(3-5-13)6-8-18-10-11-19-9-7-15/h2-6,8,15H,7,9-11H2,1H3/b8-6+
InChIKeyPATBPBGBLHHOLJ-SOFGYWHQSA-N
MW266.29 g/mol
LogP1.47
Rot. Bonds8

About methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate

methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate (PubChem CID 122582556) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate
PubChem CID122582556
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/OCCOCCO)cc1
InChIInChI=1S/C14H18O5/c1-17-14(16)13-4-2-12(3-5-13)6-8-18-10-11-19-9-7-15/h2-6,8,15H,7,9-11H2,1H3/b8-6+
InChIKeyPATBPBGBLHHOLJ-SOFGYWHQSA-N
XLogP1.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(E)-2-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoate
CID 68981232
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-(6-hydroxyhex-1-enyl)benzoate
CID 67163381
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
methyl 4-but-1-enylbenzoate
CID 69135322
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
CID 23294752
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[(1E,4E)-5-[4-(2-hydroxyacetyl)phenyl]-3-oxopenta-1,4-dienyl]benzoate
CID 90455248
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602
methyl 4-[(E)-4-methoxy-3-oxobut-1-enyl]benzoate
CID 134965384

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate?
The IUPAC name of methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate (CID 122582556) is methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate?
The canonical SMILES for methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate is COC(=O)c1ccc(/C=C/OCCOCCO)cc1.
What is the InChIKey of methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate?
The InChIKey is PATBPBGBLHHOLJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-14(16)13-4-2-12(3-5-13)6-8-18-10-11-19-9-7-15/h2-6,8,15H,7,9-11H2,1H3/b8-6+.
What are the key properties of methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate?
methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate has a molecular weight of 266.29 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]benzoate is sourced from PubChem (CID 122582556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).