(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one

C15H14O — CID 142085099

IUPAC(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one
SMILESC=CC(=C)C(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C15H14O/c1-3-13(2)15(16)12-8-7-11-14-9-5-4-6-10-14/h3-12H,1-2H2/b11-7+,12-8+
InChIKeyYAXWFRKHAQVBPI-MKICQXMISA-N
MW210.28 g/mol
LogP3.57
Rot. Bonds5

About (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one

(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one (PubChem CID 142085099) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one.

Molecular Properties

Compound Name(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one
PubChem CID142085099
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one
SMILESC=CC(=C)C(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C15H14O/c1-3-13(2)15(16)12-8-7-11-14-9-5-4-6-10-14/h3-12H,1-2H2/b11-7+,12-8+
InChIKeyYAXWFRKHAQVBPI-MKICQXMISA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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CID 6152775
7-phenylhepta-1,4,6-trien-3-one
CID 85345780
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
sodium;buta-1,3-diene;5-phenylpenta-2,4-dienoate
CID 175798582
(5E,7E)-8-phenylocta-1,5,7-trien-4-one
CID 100937640
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one?
The IUPAC name of (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one (CID 142085099) is (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one.
What is the SMILES notation for (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one?
The canonical SMILES for (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one is C=CC(=C)C(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one?
The InChIKey is YAXWFRKHAQVBPI-MKICQXMISA-N. The full InChI is InChI=1S/C15H14O/c1-3-13(2)15(16)12-8-7-11-14-9-5-4-6-10-14/h3-12H,1-2H2/b11-7+,12-8+.
What are the key properties of (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one?
(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one has a molecular weight of 210.28 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one is sourced from PubChem (CID 142085099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).