5-hydroxy-1,5-diphenylhexan-3-one

C18H20O2 — CID 46888754

IUPAC5-hydroxy-1,5-diphenylhexan-3-one
SMILESCC(O)(CC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-18(20,16-10-6-3-7-11-16)14-17(19)13-12-15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3
InChIKeyKCANRBXDEGBHGT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.49
Rot. Bonds6

About 5-hydroxy-1,5-diphenylhexan-3-one

5-hydroxy-1,5-diphenylhexan-3-one (PubChem CID 46888754) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-hydroxy-1,5-diphenylhexan-3-one.

Molecular Properties

Compound Name5-hydroxy-1,5-diphenylhexan-3-one
PubChem CID46888754
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5-hydroxy-1,5-diphenylhexan-3-one
SMILESCC(O)(CC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-18(20,16-10-6-3-7-11-16)14-17(19)13-12-15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3
InChIKeyKCANRBXDEGBHGT-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
methanamine;1-phenylpentan-3-one
CID 167492251
1,1,1,4-tetraphenylbutan-2-one
CID 140502086
4,4-dimethyl-7-phenylheptane-2,5-dione
CID 166439938
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
1-phenylnonane-3,5-dione
CID 14763643
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
6-(4-tert-butylphenyl)hexane-2,4-dione
CID 91111735
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,5-diphenylhexan-3-one?
The IUPAC name of 5-hydroxy-1,5-diphenylhexan-3-one (CID 46888754) is 5-hydroxy-1,5-diphenylhexan-3-one.
What is the SMILES notation for 5-hydroxy-1,5-diphenylhexan-3-one?
The canonical SMILES for 5-hydroxy-1,5-diphenylhexan-3-one is CC(O)(CC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-hydroxy-1,5-diphenylhexan-3-one?
The InChIKey is KCANRBXDEGBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(20,16-10-6-3-7-11-16)14-17(19)13-12-15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3.
What are the key properties of 5-hydroxy-1,5-diphenylhexan-3-one?
5-hydroxy-1,5-diphenylhexan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,5-diphenylhexan-3-one is sourced from PubChem (CID 46888754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).