(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one

C15H16O2 — CID 170089842

IUPAC(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one
SMILESC=C/C(=C\C=C/CC(C)=O)Oc1ccccc1
InChIInChI=1S/C15H16O2/c1-3-14(10-8-7-9-13(2)16)17-15-11-5-4-6-12-15/h3-8,10-12H,1,9H2,2H3/b8-7-,14-10+
InChIKeyUIQCZTKDZLPTCJ-HCDFZPOGSA-N
MW228.29 g/mol
LogP3.67
Rot. Bonds6

About (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one

(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one (PubChem CID 170089842) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one.

Molecular Properties

Compound Name(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one
PubChem CID170089842
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one
SMILESC=C/C(=C\C=C/CC(C)=O)Oc1ccccc1
InChIInChI=1S/C15H16O2/c1-3-14(10-8-7-9-13(2)16)17-15-11-5-4-6-12-15/h3-8,10-12H,1,9H2,2H3/b8-7-,14-10+
InChIKeyUIQCZTKDZLPTCJ-HCDFZPOGSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3E,5Z)-8-methylnona-1,3,5-trien-3-yl]oxybenzene
CID 142275001
(3E,5E)-7-imino-6-phenoxyhepta-3,5-dienoic acid
CID 163225590
ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
CID 143117952
2-O-[(2E,4Z)-hepta-2,4,6-trien-2-yl] 1-O-phenyl oxalate
CID 166696592
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
phenyl prop-2-enoate;triphenylene
CID 159225619
phenyl 2-oxopent-4-enoate
CID 68552503
[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyphenyl]-diiodoborane
CID 144914251
buta-1,3-diene;diphenyl carbonate
CID 87173366
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
phenyl carbamate;prop-1-ene
CID 158313196

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one?
The IUPAC name of (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one (CID 170089842) is (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one.
What is the SMILES notation for (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one?
The canonical SMILES for (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one is C=C/C(=C\C=C/CC(C)=O)Oc1ccccc1.
What is the InChIKey of (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one?
The InChIKey is UIQCZTKDZLPTCJ-HCDFZPOGSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-14(10-8-7-9-13(2)16)17-15-11-5-4-6-12-15/h3-8,10-12H,1,9H2,2H3/b8-7-,14-10+.
What are the key properties of (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one?
(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-phenoxynona-4,6,8-trien-2-one is sourced from PubChem (CID 170089842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).