(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one

C13H16O2 — CID 5376399

IUPAC(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
SMILESCC(C)/C(O)=C/C(=O)Cc1ccccc1
InChIInChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3/b13-9-
InChIKeyFKMFVGSJUJRWFD-LCYFTJDESA-N
MW204.27 g/mol
LogP2.90
Rot. Bonds4

About (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one

(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one (PubChem CID 5376399) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
PubChem CID5376399
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
SMILESCC(C)/C(O)=C/C(=O)Cc1ccccc1
InChIInChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3/b13-9-
InChIKeyFKMFVGSJUJRWFD-LCYFTJDESA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
CID 155301097
(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
CID 177397083
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
2-methyl-3-oxo-4-phenylbutanenitrile
CID 15914422
benzene;1-phenylpropan-2-one
CID 21430852
1-imino-3-phenylpropan-2-one
CID 54129851
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-methyl-4-methylimino-1-phenylbutan-2-one
CID 91342437
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(E)-2-benzyl-3-propan-2-ylbut-2-enedioic acid
CID 23164239

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one (CID 5376399) is (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one is CC(C)/C(O)=C/C(=O)Cc1ccccc1.
What is the InChIKey of (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one?
The InChIKey is FKMFVGSJUJRWFD-LCYFTJDESA-N. The full InChI is InChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3/b13-9-.
What are the key properties of (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one?
(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one is sourced from PubChem (CID 5376399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).