6-hydroxy-1,1-diphenylhexane-2,3-dione

C18H18O3 — CID 69126030

IUPAC6-hydroxy-1,1-diphenylhexane-2,3-dione
SMILESO=C(CCCO)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c19-13-7-12-16(20)18(21)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17,19H,7,12-13H2
InChIKeyYGYYUOLHWFAZNX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds7

About 6-hydroxy-1,1-diphenylhexane-2,3-dione

6-hydroxy-1,1-diphenylhexane-2,3-dione (PubChem CID 69126030) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-hydroxy-1,1-diphenylhexane-2,3-dione.

Molecular Properties

Compound Name6-hydroxy-1,1-diphenylhexane-2,3-dione
PubChem CID69126030
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name6-hydroxy-1,1-diphenylhexane-2,3-dione
SMILESO=C(CCCO)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c19-13-7-12-16(20)18(21)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17,19H,7,12-13H2
InChIKeyYGYYUOLHWFAZNX-UHFFFAOYSA-N
XLogP2.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylheptane-2,3-dione
CID 91366736
1-chloro-6-hydroxy-1-phenylhexane-2,3-dione
CID 87705902
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
5-hydroxy-2-phenylpentanoic acid
CID 79006638
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
chloranium 2,2-diphenylacetate
CID 162326731
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
5-phenylnonanedioic acid
CID 54103206
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
CID 3770806
1-bromo-5-chloro-1-phenylpentane-2,3-dione
CID 141076072
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,1-diphenylhexane-2,3-dione?
The IUPAC name of 6-hydroxy-1,1-diphenylhexane-2,3-dione (CID 69126030) is 6-hydroxy-1,1-diphenylhexane-2,3-dione.
What is the SMILES notation for 6-hydroxy-1,1-diphenylhexane-2,3-dione?
The canonical SMILES for 6-hydroxy-1,1-diphenylhexane-2,3-dione is O=C(CCCO)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-hydroxy-1,1-diphenylhexane-2,3-dione?
The InChIKey is YGYYUOLHWFAZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-13-7-12-16(20)18(21)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17,19H,7,12-13H2.
What are the key properties of 6-hydroxy-1,1-diphenylhexane-2,3-dione?
6-hydroxy-1,1-diphenylhexane-2,3-dione has a molecular weight of 282.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,1-diphenylhexane-2,3-dione is sourced from PubChem (CID 69126030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).