(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione

C22H17ClO2 — CID 135053959

IUPAC(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
SMILESO=C(C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17ClO2/c23-19-13-11-18(12-14-19)22(25)20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17/h1-14,20H,15H2/t20-/m1/s1
InChIKeyJQOBVOUZOIZEHQ-HXUWFJFHSA-N
MW348.83 g/mol
LogP5.58
Rot. Bonds6

About (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione

(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione (PubChem CID 135053959) has the molecular formula C22H17ClO2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
PubChem CID135053959
Molecular FormulaC22H17ClO2
Molecular Weight348.83 g/mol
Exact Mass348.09
IUPAC Name(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
SMILESO=C(C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17ClO2/c23-19-13-11-18(12-14-19)22(25)20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17/h1-14,20H,15H2/t20-/m1/s1
InChIKeyJQOBVOUZOIZEHQ-HXUWFJFHSA-N
XLogP5.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356
1-(4-chlorophenyl)-3-nitro-2-phenylpropan-1-one
CID 101095215
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
2-(2-chlorophenyl)-1,4-diphenylbutane-1,4-dione
CID 6710164
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione?
The IUPAC name of (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione (CID 135053959) is (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione?
The canonical SMILES for (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione is O=C(C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione?
The InChIKey is JQOBVOUZOIZEHQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H17ClO2/c23-19-13-11-18(12-14-19)22(25)20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17/h1-14,20H,15H2/t20-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione?
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione has a molecular weight of 348.83 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione is sourced from PubChem (CID 135053959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).