(2R)-2-hydroxy-1-phenylhexane-1,5-dione

C12H14O3 — CID 125485700

IUPAC(2R)-2-hydroxy-1-phenylhexane-1,5-dione
SMILESCC(=O)CC[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3/t11-/m1/s1
InChIKeyDCICOAQYEJUDCY-LLVKDONJSA-N
MW206.24 g/mol
LogP1.60
Rot. Bonds5

About (2R)-2-hydroxy-1-phenylhexane-1,5-dione

(2R)-2-hydroxy-1-phenylhexane-1,5-dione (PubChem CID 125485700) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-phenylhexane-1,5-dione.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-phenylhexane-1,5-dione
PubChem CID125485700
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R)-2-hydroxy-1-phenylhexane-1,5-dione
SMILESCC(=O)CC[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3/t11-/m1/s1
InChIKeyDCICOAQYEJUDCY-LLVKDONJSA-N
XLogP1.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
5-hydroxy-6-oxo-6-phenylhexanoic acid
CID 151820030
4-amino-2-hydroxy-1-phenylbutan-1-one
CID 57182499
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione
CID 101179657
5-(benzhydrylideneamino)hexan-2-one
CID 21343384
2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
CID 160588894
5-bromo-5-phenylpentan-2-one
CID 70081529
1-phenylheptane-1,6-dione
CID 11333176
pentan-2-one;1-phenylethanone
CID 142883835
1,2-diphenylpentane-1,4-dione
CID 13184730
2,2-difluoro-1-phenylhexane-1,5-dione
CID 10561190

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-phenylhexane-1,5-dione?
The IUPAC name of (2R)-2-hydroxy-1-phenylhexane-1,5-dione (CID 125485700) is (2R)-2-hydroxy-1-phenylhexane-1,5-dione.
What is the SMILES notation for (2R)-2-hydroxy-1-phenylhexane-1,5-dione?
The canonical SMILES for (2R)-2-hydroxy-1-phenylhexane-1,5-dione is CC(=O)CC[C@@H](O)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-1-phenylhexane-1,5-dione?
The InChIKey is DCICOAQYEJUDCY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-phenylhexane-1,5-dione?
(2R)-2-hydroxy-1-phenylhexane-1,5-dione has a molecular weight of 206.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-phenylhexane-1,5-dione is sourced from PubChem (CID 125485700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).