[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate

C14H18O4 — CID 60568148

IUPAC[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate
SMILESC/C=C/COC(=O)c1cccc(OCCOC)c1
InChIInChI=1S/C14H18O4/c1-3-4-8-18-14(15)12-6-5-7-13(11-12)17-10-9-16-2/h3-7,11H,8-10H2,1-2H3/b4-3+
InChIKeyJPPUDHFGHARNGV-ONEGZZNKSA-N
MW250.29 g/mol
LogP2.44
Rot. Bonds7

About [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate

[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate (PubChem CID 60568148) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate
PubChem CID60568148
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate
SMILESC/C=C/COC(=O)c1cccc(OCCOC)c1
InChIInChI=1S/C14H18O4/c1-3-4-8-18-14(15)12-6-5-7-13(11-12)17-10-9-16-2/h3-7,11H,8-10H2,1-2H3/b4-3+
InChIKeyJPPUDHFGHARNGV-ONEGZZNKSA-N
XLogP2.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-but-2-enoxybenzoate
CID 57207462
but-2-enyl 3-iodobenzoate
CID 76855292
[(E)-but-2-enyl] benzoate
CID 5352600
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
propyl 3-[4-(2-methoxyethoxy)benzoyl]oxybenzoate
CID 17169702
[(Z)-but-2-enyl] 6-(6-formyloxyhexoxy)naphthalene-2-carboxylate
CID 145465725
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
2-O,4-O-bis[(E)-but-2-enyl] 1-O-[(Z)-but-2-enyl] benzene-1,2,4-tricarboxylate
CID 59119104
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
(2-ethyl-1,3-thiazol-4-yl)methyl 3-(2-methoxyethoxy)benzoate
CID 60568114

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate?
The IUPAC name of [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate (CID 60568148) is [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate.
What is the SMILES notation for [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate?
The canonical SMILES for [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate is C/C=C/COC(=O)c1cccc(OCCOC)c1.
What is the InChIKey of [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate?
The InChIKey is JPPUDHFGHARNGV-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-4-8-18-14(15)12-6-5-7-13(11-12)17-10-9-16-2/h3-7,11H,8-10H2,1-2H3/b4-3+.
What are the key properties of [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate?
[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 60568148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).