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

C13H16O2 — CID 5377692

IUPAC(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C(\O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3/b13-9-
InChIKeyCPLBVPJRDXJYDK-LCYFTJDESA-N
MW204.27 g/mol
LogP3.20
Rot. Bonds4

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

(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one (PubChem CID 5377692) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
PubChem CID5377692
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C(\O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3/b13-9-
InChIKeyCPLBVPJRDXJYDK-LCYFTJDESA-N
XLogP3.20
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 ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one?
The IUPAC name of (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one (CID 5377692) is (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one.
What is the SMILES notation for (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one?
The canonical SMILES for (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one is CC(C)CC(=O)/C=C(\O)c1ccccc1.
What is the InChIKey of (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one?
The InChIKey is CPLBVPJRDXJYDK-LCYFTJDESA-N. The full InChI is InChI=1S/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3/b13-9-.
What are the key properties of (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one?
(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one has a molecular weight of 204.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one is sourced from PubChem (CID 5377692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).