(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one

C18H15ClO3 — CID 125486270

IUPAC(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
SMILESC[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H](O)C=CC1=O
InChIInChI=1S/C18H15ClO3/c1-18(16(20)10-11-17(21)22-18)14-6-2-12(3-7-14)13-4-8-15(19)9-5-13/h2-11,17,21H,1H3/t17-,18-/m1/s1
InChIKeyWNTKLPIEJHKSKL-QZTJIDSGSA-N
MW314.77 g/mol
LogP3.70
Rot. Bonds2

About (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one

(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one (PubChem CID 125486270) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
PubChem CID125486270
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
SMILESC[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H](O)C=CC1=O
InChIInChI=1S/C18H15ClO3/c1-18(16(20)10-11-17(21)22-18)14-6-2-12(3-7-14)13-4-8-15(19)9-5-13/h2-11,17,21H,1H3/t17-,18-/m1/s1
InChIKeyWNTKLPIEJHKSKL-QZTJIDSGSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N,N-dimethylcarbamate
CID 92965973
ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate
CID 95560347
(2S,6R)-2-hydroxy-6-(2-methoxyethynyl)-6-methyl-2H-pyran-5-one
CID 101176224
3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione
CID 91178534
[5-(4-chlorophenyl)-5-methyl-4-oxofuran-2-yl] hydrogen carbonate
CID 70558652
5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one
CID 139257536
2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134094277
[5-(4-chlorophenyl)-2-(2,5-dihydroxypyrrol-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 123420434
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
CID 10088465
2-(4-chlorophenyl)-2-methylcyclobutane-1,3-dione
CID 68579255
2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
CID 14787865

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one (CID 125486270) is (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one is C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H](O)C=CC1=O.
What is the InChIKey of (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one?
The InChIKey is WNTKLPIEJHKSKL-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-18(16(20)10-11-17(21)22-18)14-6-2-12(3-7-14)13-4-8-15(19)9-5-13/h2-11,17,21H,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one?
(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one has a molecular weight of 314.77 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 125486270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).