(3R)-1,3-diphenylpentane-1,4-dione

C17H16O2 — CID 90658388

IUPAC(3R)-1,3-diphenylpentane-1,4-dione
SMILESCC(=O)[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(18)16(14-8-4-2-5-9-14)12-17(19)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/t16-/m0/s1
InChIKeyZBFQDRYTVCCMSY-INIZCTEOSA-N
MW252.31 g/mol
LogP3.63
Rot. Bonds5

About (3R)-1,3-diphenylpentane-1,4-dione

(3R)-1,3-diphenylpentane-1,4-dione (PubChem CID 90658388) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3R)-1,3-diphenylpentane-1,4-dione.

Molecular Properties

Compound Name(3R)-1,3-diphenylpentane-1,4-dione
PubChem CID90658388
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(3R)-1,3-diphenylpentane-1,4-dione
SMILESCC(=O)[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(18)16(14-8-4-2-5-9-14)12-17(19)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/t16-/m0/s1
InChIKeyZBFQDRYTVCCMSY-INIZCTEOSA-N
XLogP3.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-1-phenylpentane-1,4-dione
CID 53348977
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
3-benzhydryl-1-phenylpentane-1,4-dione
CID 15122089
4-oxo-3-phenylpentanoate
CID 78435368
1,3-diphenylpentane-1,4-dione;(E)-1,3-diphenylprop-2-en-1-one;propanal
CID 158796502
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
(3R)-1,3-diphenylpentan-1-one
CID 11042799
1,2-diphenylpentane-1,4-dione
CID 13184730
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
S-(3-oxo-1,3-diphenylpropyl) ethanethioate
CID 46859202

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diphenylpentane-1,4-dione?
The IUPAC name of (3R)-1,3-diphenylpentane-1,4-dione (CID 90658388) is (3R)-1,3-diphenylpentane-1,4-dione.
What is the SMILES notation for (3R)-1,3-diphenylpentane-1,4-dione?
The canonical SMILES for (3R)-1,3-diphenylpentane-1,4-dione is CC(=O)[C@H](CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-1,3-diphenylpentane-1,4-dione?
The InChIKey is ZBFQDRYTVCCMSY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(18)16(14-8-4-2-5-9-14)12-17(19)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-1,3-diphenylpentane-1,4-dione?
(3R)-1,3-diphenylpentane-1,4-dione has a molecular weight of 252.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diphenylpentane-1,4-dione is sourced from PubChem (CID 90658388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).