(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one

C18H16O2 — CID 51040868

IUPAC(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
SMILESO=C(/C=C/C=C/c1ccccc1)COc1ccccc1
InChIInChI=1S/C18H16O2/c19-17(15-20-18-13-5-2-6-14-18)12-8-7-11-16-9-3-1-4-10-16/h1-14H,15H2/b11-7+,12-8+
InChIKeyATXQJENAOITXIO-MKICQXMISA-N
MW264.32 g/mol
LogP3.90
Rot. Bonds6

About (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one

(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one (PubChem CID 51040868) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
PubChem CID51040868
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
SMILESO=C(/C=C/C=C/c1ccccc1)COc1ccccc1
InChIInChI=1S/C18H16O2/c19-17(15-20-18-13-5-2-6-14-18)12-8-7-11-16-9-3-1-4-10-16/h1-14H,15H2/b11-7+,12-8+
InChIKeyATXQJENAOITXIO-MKICQXMISA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate
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2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
CID 2255949
(E)-4-(4-hydroxy-3,5-dimethylphenyl)-1-phenoxybut-3-en-2-one
CID 15020307
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
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CID 101424539
ethyl (4E)-5-phenylpenta-2,4-dienoate
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CID 5373541

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one?
The IUPAC name of (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one (CID 51040868) is (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one is O=C(/C=C/C=C/c1ccccc1)COc1ccccc1.
What is the InChIKey of (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one?
The InChIKey is ATXQJENAOITXIO-MKICQXMISA-N. The full InChI is InChI=1S/C18H16O2/c19-17(15-20-18-13-5-2-6-14-18)12-8-7-11-16-9-3-1-4-10-16/h1-14H,15H2/b11-7+,12-8+.
What are the key properties of (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one?
(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one has a molecular weight of 264.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one is sourced from PubChem (CID 51040868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).