5-methyl-6-phenylhex-5-en-3-one

C13H16O — CID 71411119

IUPAC5-methyl-6-phenylhex-5-en-3-one
SMILESCCC(=O)CC(C)=Cc1ccccc1
InChIInChI=1S/C13H16O/c1-3-13(14)10-11(2)9-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyMKNVCTJCPSDROH-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.46
Rot. Bonds4

About 5-methyl-6-phenylhex-5-en-3-one

5-methyl-6-phenylhex-5-en-3-one (PubChem CID 71411119) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-methyl-6-phenylhex-5-en-3-one.

Molecular Properties

Compound Name5-methyl-6-phenylhex-5-en-3-one
PubChem CID71411119
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-methyl-6-phenylhex-5-en-3-one
SMILESCCC(=O)CC(C)=Cc1ccccc1
InChIInChI=1S/C13H16O/c1-3-13(14)10-11(2)9-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyMKNVCTJCPSDROH-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylhex-5-en-3-one?
The IUPAC name of 5-methyl-6-phenylhex-5-en-3-one (CID 71411119) is 5-methyl-6-phenylhex-5-en-3-one.
What is the SMILES notation for 5-methyl-6-phenylhex-5-en-3-one?
The canonical SMILES for 5-methyl-6-phenylhex-5-en-3-one is CCC(=O)CC(C)=Cc1ccccc1.
What is the InChIKey of 5-methyl-6-phenylhex-5-en-3-one?
The InChIKey is MKNVCTJCPSDROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-13(14)10-11(2)9-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-methyl-6-phenylhex-5-en-3-one?
5-methyl-6-phenylhex-5-en-3-one has a molecular weight of 188.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylhex-5-en-3-one is sourced from PubChem (CID 71411119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).