4-hydroxy-1-phenylhexan-3-one

C12H16O2 — CID 103453087

IUPAC4-hydroxy-1-phenylhexan-3-one
SMILESCCC(O)C(=O)CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKeyFARZZQPVGZGDCF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.96
Rot. Bonds5

About 4-hydroxy-1-phenylhexan-3-one

4-hydroxy-1-phenylhexan-3-one (PubChem CID 103453087) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-hydroxy-1-phenylhexan-3-one.

Molecular Properties

Compound Name4-hydroxy-1-phenylhexan-3-one
PubChem CID103453087
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-hydroxy-1-phenylhexan-3-one
SMILESCCC(O)C(=O)CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKeyFARZZQPVGZGDCF-UHFFFAOYSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-phenylhexan-3-one
CID 71072308
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744
4-bromo-1-phenylpentan-3-one
CID 121216753
3-hydroxy-1-phenylnonan-4-one
CID 135039078
4-hydroxy-1-phenyl-7-phenylmethoxyheptan-3-one
CID 135012446
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
4-methoxy-1-phenylheptan-3-one
CID 116708295
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
5-fluoro-1-phenylheptan-3-one
CID 134845186
1-phenyl-4-phenylsulfanylpentan-3-one
CID 134935307
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenylhexan-3-one?
The IUPAC name of 4-hydroxy-1-phenylhexan-3-one (CID 103453087) is 4-hydroxy-1-phenylhexan-3-one.
What is the SMILES notation for 4-hydroxy-1-phenylhexan-3-one?
The canonical SMILES for 4-hydroxy-1-phenylhexan-3-one is CCC(O)C(=O)CCc1ccccc1.
What is the InChIKey of 4-hydroxy-1-phenylhexan-3-one?
The InChIKey is FARZZQPVGZGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3.
What are the key properties of 4-hydroxy-1-phenylhexan-3-one?
4-hydroxy-1-phenylhexan-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenylhexan-3-one is sourced from PubChem (CID 103453087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).