[(E)-hept-4-enyl] 4-hydroxybenzoate

C14H18O3 — CID 101322234

IUPAC[(E)-hept-4-enyl] 4-hydroxybenzoate
SMILESCC/C=C/CCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h3-4,7-10,15H,2,5-6,11H2,1H3/b4-3+
InChIKeyNNJQQWUQIWYMSH-ONEGZZNKSA-N
MW234.29 g/mol
LogP3.30
Rot. Bonds6

About [(E)-hept-4-enyl] 4-hydroxybenzoate

[(E)-hept-4-enyl] 4-hydroxybenzoate (PubChem CID 101322234) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [(E)-hept-4-enyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(E)-hept-4-enyl] 4-hydroxybenzoate
PubChem CID101322234
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[(E)-hept-4-enyl] 4-hydroxybenzoate
SMILESCC/C=C/CCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h3-4,7-10,15H,2,5-6,11H2,1H3/b4-3+
InChIKeyNNJQQWUQIWYMSH-ONEGZZNKSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(E)-dec-4-enyl] 4-hydroxybenzoate
CID 101322255
[(E)-octadec-6-enyl] 4-hydroxybenzoate
CID 101322355
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343
[(E)-dec-3-enyl] 4-hydroxybenzoate
CID 101322254
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
1-O-dodecyl 4-O-octadec-9-enyl benzene-1,4-dicarboxylate
CID 54427395
1-O-dodecyl 4-O-[(Z)-octadec-9-enyl] benzene-1,4-dicarboxylate
CID 67832081
[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354

Frequently Asked Questions

What is the IUPAC name of [(E)-hept-4-enyl] 4-hydroxybenzoate?
The IUPAC name of [(E)-hept-4-enyl] 4-hydroxybenzoate (CID 101322234) is [(E)-hept-4-enyl] 4-hydroxybenzoate.
What is the SMILES notation for [(E)-hept-4-enyl] 4-hydroxybenzoate?
The canonical SMILES for [(E)-hept-4-enyl] 4-hydroxybenzoate is CC/C=C/CCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of [(E)-hept-4-enyl] 4-hydroxybenzoate?
The InChIKey is NNJQQWUQIWYMSH-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h3-4,7-10,15H,2,5-6,11H2,1H3/b4-3+.
What are the key properties of [(E)-hept-4-enyl] 4-hydroxybenzoate?
[(E)-hept-4-enyl] 4-hydroxybenzoate has a molecular weight of 234.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-4-enyl] 4-hydroxybenzoate is sourced from PubChem (CID 101322234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).