8-phenyloct-4-enoic acid

C14H18O2 — CID 54178089

IUPAC8-phenyloct-4-enoic acid
SMILESO=C(O)CCC=CCCCc1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16)
InChIKeyOZVXSKKGSPDWPG-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds7

About 8-phenyloct-4-enoic acid

8-phenyloct-4-enoic acid (PubChem CID 54178089) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-phenyloct-4-enoic acid.

Molecular Properties

Compound Name8-phenyloct-4-enoic acid
PubChem CID54178089
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name8-phenyloct-4-enoic acid
SMILESO=C(O)CCC=CCCCc1ccccc1
InChIInChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16)
InChIKeyOZVXSKKGSPDWPG-UHFFFAOYSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-phenyloct-4-enoic acid?
The IUPAC name of 8-phenyloct-4-enoic acid (CID 54178089) is 8-phenyloct-4-enoic acid.
What is the SMILES notation for 8-phenyloct-4-enoic acid?
The canonical SMILES for 8-phenyloct-4-enoic acid is O=C(O)CCC=CCCCc1ccccc1.
What is the InChIKey of 8-phenyloct-4-enoic acid?
The InChIKey is OZVXSKKGSPDWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16).
What are the key properties of 8-phenyloct-4-enoic acid?
8-phenyloct-4-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyloct-4-enoic acid is sourced from PubChem (CID 54178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).