(Z)-5-methyl-1-phenylhex-1-en-3-one

C13H16O — CID 92529574

IUPAC(Z)-5-methyl-1-phenylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C\c1ccccc1
InChIInChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-
InChIKeyLLVCDRTZBYXKII-HJWRWDBZSA-N
MW188.27 g/mol
LogP3.32
Rot. Bonds4

About (Z)-5-methyl-1-phenylhex-1-en-3-one

(Z)-5-methyl-1-phenylhex-1-en-3-one (PubChem CID 92529574) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (Z)-5-methyl-1-phenylhex-1-en-3-one.

Molecular Properties

Compound Name(Z)-5-methyl-1-phenylhex-1-en-3-one
PubChem CID92529574
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(Z)-5-methyl-1-phenylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C\c1ccccc1
InChIInChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-
InChIKeyLLVCDRTZBYXKII-HJWRWDBZSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.32
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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Related Compounds

(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one
CID 13383969
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
(E)-6,6,6-trifluoro-5-hydroxy-1-phenylhex-1-en-3-one
CID 15255295
1,5-diphenyloct-1-ene-3,6-dione
CID 71384497
(E)-5-hydroxy-1-phenylnon-1-en-3-one
CID 11264760
(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
2,4-dioxo-6-phenylhex-5-enoic acid
CID 54380615
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-1-phenylhex-1-en-3-one?
The IUPAC name of (Z)-5-methyl-1-phenylhex-1-en-3-one (CID 92529574) is (Z)-5-methyl-1-phenylhex-1-en-3-one.
What is the SMILES notation for (Z)-5-methyl-1-phenylhex-1-en-3-one?
The canonical SMILES for (Z)-5-methyl-1-phenylhex-1-en-3-one is CC(C)CC(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-5-methyl-1-phenylhex-1-en-3-one?
The InChIKey is LLVCDRTZBYXKII-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-.
What are the key properties of (Z)-5-methyl-1-phenylhex-1-en-3-one?
(Z)-5-methyl-1-phenylhex-1-en-3-one has a molecular weight of 188.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-1-phenylhex-1-en-3-one is sourced from PubChem (CID 92529574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).