ethyl 4-(4-hydroxypent-1-enyl)benzoate

C14H18O3 — CID 68918809

IUPACethyl 4-(4-hydroxypent-1-enyl)benzoate
SMILESCCOC(=O)c1ccc(C=CCC(C)O)cc1
InChIInChI=1S/C14H18O3/c1-3-17-14(16)13-9-7-12(8-10-13)6-4-5-11(2)15/h4,6-11,15H,3,5H2,1-2H3
InChIKeyONPRNKULGLYUIQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.65
Rot. Bonds5

About ethyl 4-(4-hydroxypent-1-enyl)benzoate

ethyl 4-(4-hydroxypent-1-enyl)benzoate (PubChem CID 68918809) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 4-(4-hydroxypent-1-enyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxypent-1-enyl)benzoate
PubChem CID68918809
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Nameethyl 4-(4-hydroxypent-1-enyl)benzoate
SMILESCCOC(=O)c1ccc(C=CCC(C)O)cc1
InChIInChI=1S/C14H18O3/c1-3-17-14(16)13-9-7-12(8-10-13)6-4-5-11(2)15/h4,6-11,15H,3,5H2,1-2H3
InChIKeyONPRNKULGLYUIQ-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate
CID 155548244
ethyl 4-(2-cyclopropylethenyl)benzoate
CID 66845963
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
tert-butyl 4-(4-ethoxy-4-oxobut-1-enyl)benzoate
CID 170797047
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
CID 14425758
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxypent-1-enyl)benzoate?
The IUPAC name of ethyl 4-(4-hydroxypent-1-enyl)benzoate (CID 68918809) is ethyl 4-(4-hydroxypent-1-enyl)benzoate.
What is the SMILES notation for ethyl 4-(4-hydroxypent-1-enyl)benzoate?
The canonical SMILES for ethyl 4-(4-hydroxypent-1-enyl)benzoate is CCOC(=O)c1ccc(C=CCC(C)O)cc1.
What is the InChIKey of ethyl 4-(4-hydroxypent-1-enyl)benzoate?
The InChIKey is ONPRNKULGLYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-17-14(16)13-9-7-12(8-10-13)6-4-5-11(2)15/h4,6-11,15H,3,5H2,1-2H3.
What are the key properties of ethyl 4-(4-hydroxypent-1-enyl)benzoate?
ethyl 4-(4-hydroxypent-1-enyl)benzoate has a molecular weight of 234.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxypent-1-enyl)benzoate is sourced from PubChem (CID 68918809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).