(E)-1-phenyloct-4-en-3-one

C14H18O — CID 12588926

IUPAC(E)-1-phenyloct-4-en-3-one
SMILESCCC/C=C/C(=O)CCc1ccccc1
InChIInChI=1S/C14H18O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4-10H,2-3,11-12H2,1H3/b10-5+
InChIKeyZOUDSUZJVDVFPM-BJMVGYQFSA-N
MW202.30 g/mol
LogP3.54
Rot. Bonds6

About (E)-1-phenyloct-4-en-3-one

(E)-1-phenyloct-4-en-3-one (PubChem CID 12588926) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-1-phenyloct-4-en-3-one.

Molecular Properties

Compound Name(E)-1-phenyloct-4-en-3-one
PubChem CID12588926
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(E)-1-phenyloct-4-en-3-one
SMILESCCC/C=C/C(=O)CCc1ccccc1
InChIInChI=1S/C14H18O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4-10H,2-3,11-12H2,1H3/b10-5+
InChIKeyZOUDSUZJVDVFPM-BJMVGYQFSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyloct-4-en-3-one?
The IUPAC name of (E)-1-phenyloct-4-en-3-one (CID 12588926) is (E)-1-phenyloct-4-en-3-one.
What is the SMILES notation for (E)-1-phenyloct-4-en-3-one?
The canonical SMILES for (E)-1-phenyloct-4-en-3-one is CCC/C=C/C(=O)CCc1ccccc1.
What is the InChIKey of (E)-1-phenyloct-4-en-3-one?
The InChIKey is ZOUDSUZJVDVFPM-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4-10H,2-3,11-12H2,1H3/b10-5+.
What are the key properties of (E)-1-phenyloct-4-en-3-one?
(E)-1-phenyloct-4-en-3-one has a molecular weight of 202.30 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyloct-4-en-3-one is sourced from PubChem (CID 12588926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).