5,6-diphenylhexan-2-one

C18H20O — CID 134938963

IUPAC5,6-diphenylhexan-2-one
SMILESCC(=O)CCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-15(19)12-13-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChIKeyPFCDBVNEXLVWNY-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.38
Rot. Bonds6

About 5,6-diphenylhexan-2-one

5,6-diphenylhexan-2-one (PubChem CID 134938963) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5,6-diphenylhexan-2-one.

Molecular Properties

Compound Name5,6-diphenylhexan-2-one
PubChem CID134938963
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name5,6-diphenylhexan-2-one
SMILESCC(=O)CCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-15(19)12-13-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChIKeyPFCDBVNEXLVWNY-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-6-phenylhexan-2-one
CID 90094782
methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
CID 125467308
1-phenylundecan-2-ylbenzene
CID 22919994
1-phenyltridecan-2-ylbenzene
CID 22919631
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
5-bromo-5-phenylpentan-2-one
CID 70081529
ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene
CID 159839269
4-amino-N-(2,3-diphenylpropyl)pentanamide
CID 120563401
(5S)-5-methyl-6-phenylhexan-2-one;oxolane
CID 90875451
3,4-diphenylbutyl methanesulfonate
CID 10063639
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
5-phenylnonanedioic acid
CID 54103206

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenylhexan-2-one?
The IUPAC name of 5,6-diphenylhexan-2-one (CID 134938963) is 5,6-diphenylhexan-2-one.
What is the SMILES notation for 5,6-diphenylhexan-2-one?
The canonical SMILES for 5,6-diphenylhexan-2-one is CC(=O)CCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 5,6-diphenylhexan-2-one?
The InChIKey is PFCDBVNEXLVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-15(19)12-13-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3.
What are the key properties of 5,6-diphenylhexan-2-one?
5,6-diphenylhexan-2-one has a molecular weight of 252.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenylhexan-2-one is sourced from PubChem (CID 134938963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).