(4R)-4-methyl-1,1-diphenylhexane-2,5-dione

C19H20O2 — CID 159281542

IUPAC(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
SMILESCC(=O)[C@H](C)CC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-14(15(2)20)13-18(21)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,19H,13H2,1-2H3/t14-/m1/s1
InChIKeyAXYHPMIKXSTBRX-CQSZACIVSA-N
MW280.37 g/mol
LogP4.00
Rot. Bonds6

About (4R)-4-methyl-1,1-diphenylhexane-2,5-dione

(4R)-4-methyl-1,1-diphenylhexane-2,5-dione (PubChem CID 159281542) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4R)-4-methyl-1,1-diphenylhexane-2,5-dione.

Molecular Properties

Compound Name(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
PubChem CID159281542
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
SMILESCC(=O)[C@H](C)CC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-14(15(2)20)13-18(21)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,19H,13H2,1-2H3/t14-/m1/s1
InChIKeyAXYHPMIKXSTBRX-CQSZACIVSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-4-oxo-5,5-diphenylpentanamide
CID 162242633
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
3-methyl-5-phenylhexan-2-one
CID 22898138
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
3-methyl-4-oxo-5,5-diphenylpentanoic acid
CID 107292902
1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
3-methoxy-1,1-diphenylpropan-2-one
CID 19419205
(1R,4S)-1,5-dihydroxy-4-methyl-1-phenylpentan-3-one
CID 139089580
5-benzyl-3-methylhex-5-en-2-one
CID 59397011
2-acetyl-3-phenylbutanoic acid
CID 12561389
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,1-diphenylhexane-2,5-dione?
The IUPAC name of (4R)-4-methyl-1,1-diphenylhexane-2,5-dione (CID 159281542) is (4R)-4-methyl-1,1-diphenylhexane-2,5-dione.
What is the SMILES notation for (4R)-4-methyl-1,1-diphenylhexane-2,5-dione?
The canonical SMILES for (4R)-4-methyl-1,1-diphenylhexane-2,5-dione is CC(=O)[C@H](C)CC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-methyl-1,1-diphenylhexane-2,5-dione?
The InChIKey is AXYHPMIKXSTBRX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(15(2)20)13-18(21)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,19H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-4-methyl-1,1-diphenylhexane-2,5-dione?
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,1-diphenylhexane-2,5-dione is sourced from PubChem (CID 159281542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).