4-hydroxy-2-methyl-1-phenylhex-5-en-1-one

C13H16O2 — CID 139841493

IUPAC4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
SMILESC=CC(O)CC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-12(14)9-10(2)13(15)11-7-5-4-6-8-11/h3-8,10,12,14H,1,9H2,2H3
InChIKeyLKGBBWSHZSFQOP-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.44
Rot. Bonds5

About 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one

4-hydroxy-2-methyl-1-phenylhex-5-en-1-one (PubChem CID 139841493) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
PubChem CID139841493
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
SMILESC=CC(O)CC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-12(14)9-10(2)13(15)11-7-5-4-6-8-11/h3-8,10,12,14H,1,9H2,2H3
InChIKeyLKGBBWSHZSFQOP-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
CID 54076054
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055
4-chloro-2-methyl-1-phenylheptan-1-one
CID 20528468
3,4-dihydroxy-2-methyl-1-phenylbutan-1-one
CID 53424893
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
(2S,3R)-2,3-dihydroxy-1-phenyloct-7-en-1-one
CID 59086537
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
diethyl 2-[(1S,3R)-3-hydroxy-1-phenylpent-4-enyl]propanedioate
CID 132540270

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one (CID 139841493) is 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one is C=CC(O)CC(C)C(=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one?
The InChIKey is LKGBBWSHZSFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-12(14)9-10(2)13(15)11-7-5-4-6-8-11/h3-8,10,12,14H,1,9H2,2H3.
What are the key properties of 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one?
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1-phenylhex-5-en-1-one is sourced from PubChem (CID 139841493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).