2-hydroxy-2-phenylhexan-3-one

C12H16O2 — CID 3696245

IUPAC2-hydroxy-2-phenylhexan-3-one
SMILESCCCC(=O)C(C)(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-7-11(13)12(2,14)10-8-5-4-6-9-10/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyKBDBTORVWNBEGA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.26
Rot. Bonds4

About 2-hydroxy-2-phenylhexan-3-one

2-hydroxy-2-phenylhexan-3-one (PubChem CID 3696245) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-hydroxy-2-phenylhexan-3-one.

Molecular Properties

Compound Name2-hydroxy-2-phenylhexan-3-one
PubChem CID3696245
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-hydroxy-2-phenylhexan-3-one
SMILESCCCC(=O)C(C)(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-7-11(13)12(2,14)10-8-5-4-6-9-10/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyKBDBTORVWNBEGA-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenylhexan-3-one
CID 116563859
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one
CID 10684796
2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
6-methyl-6-phenyloctan-4-one
CID 142684027
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
CID 11609089
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium
CID 2295241

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylhexan-3-one?
The IUPAC name of 2-hydroxy-2-phenylhexan-3-one (CID 3696245) is 2-hydroxy-2-phenylhexan-3-one.
What is the SMILES notation for 2-hydroxy-2-phenylhexan-3-one?
The canonical SMILES for 2-hydroxy-2-phenylhexan-3-one is CCCC(=O)C(C)(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylhexan-3-one?
The InChIKey is KBDBTORVWNBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-7-11(13)12(2,14)10-8-5-4-6-9-10/h4-6,8-9,14H,3,7H2,1-2H3.
What are the key properties of 2-hydroxy-2-phenylhexan-3-one?
2-hydroxy-2-phenylhexan-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylhexan-3-one is sourced from PubChem (CID 3696245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).