5-hydroxy-1-phenyldecan-3-one

C16H24O2 — CID 57397938

IUPAC5-hydroxy-1-phenyldecan-3-one
SMILESCCCCCC(O)CC(=O)CCc1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-5-10-15(17)13-16(18)12-11-14-8-6-4-7-9-14/h4,6-9,15,17H,2-3,5,10-13H2,1H3
InChIKeyKSQWYVJTNHTCLR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.52
Rot. Bonds9

About 5-hydroxy-1-phenyldecan-3-one

5-hydroxy-1-phenyldecan-3-one (PubChem CID 57397938) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-hydroxy-1-phenyldecan-3-one.

Molecular Properties

Compound Name5-hydroxy-1-phenyldecan-3-one
PubChem CID57397938
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-hydroxy-1-phenyldecan-3-one
SMILESCCCCCC(O)CC(=O)CCc1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-5-10-15(17)13-16(18)12-11-14-8-6-4-7-9-14/h4,6-9,15,17H,2-3,5,10-13H2,1H3
InChIKeyKSQWYVJTNHTCLR-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-phenyldecan-3-one?
The IUPAC name of 5-hydroxy-1-phenyldecan-3-one (CID 57397938) is 5-hydroxy-1-phenyldecan-3-one.
What is the SMILES notation for 5-hydroxy-1-phenyldecan-3-one?
The canonical SMILES for 5-hydroxy-1-phenyldecan-3-one is CCCCCC(O)CC(=O)CCc1ccccc1.
What is the InChIKey of 5-hydroxy-1-phenyldecan-3-one?
The InChIKey is KSQWYVJTNHTCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-5-10-15(17)13-16(18)12-11-14-8-6-4-7-9-14/h4,6-9,15,17H,2-3,5,10-13H2,1H3.
What are the key properties of 5-hydroxy-1-phenyldecan-3-one?
5-hydroxy-1-phenyldecan-3-one has a molecular weight of 248.37 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-phenyldecan-3-one is sourced from PubChem (CID 57397938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).