2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one

C18H13ClO2 — CID 10756387

IUPAC2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
SMILESCc1ccc(-c2cc(=O)cc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H13ClO2/c1-12-2-4-13(5-3-12)17-10-16(20)11-18(21-17)14-6-8-15(19)9-7-14/h2-11H,1H3
InChIKeyABOWIMAOTKTWIL-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.94
Rot. Bonds2

About 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one

2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one (PubChem CID 10756387) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
PubChem CID10756387
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
SMILESCc1ccc(-c2cc(=O)cc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H13ClO2/c1-12-2-4-13(5-3-12)17-10-16(20)11-18(21-17)14-6-8-15(19)9-7-14/h2-11H,1H3
InChIKeyABOWIMAOTKTWIL-UHFFFAOYSA-N
XLogP4.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one
CID 10542280
6-(4-chlorophenyl)-4-oxopyran-2-carboxylic acid
CID 12846712
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
2-(4-chlorophenyl)-4-(4-methylphenyl)furan
CID 12827072
6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
CID 13190880
1-chloro-4-methylbenzene;zinc
CID 174694335
2-(4-bromophenyl)-6-methylpyran-4-one
CID 101175754
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
CID 7245332
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
CID 73352575
N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
CID 1484445

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one (CID 10756387) is 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one is Cc1ccc(-c2cc(=O)cc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one?
The InChIKey is ABOWIMAOTKTWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c1-12-2-4-13(5-3-12)17-10-16(20)11-18(21-17)14-6-8-15(19)9-7-14/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one?
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one has a molecular weight of 296.75 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one is sourced from PubChem (CID 10756387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).