3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one

C22H20O3 — CID 56931655

IUPAC3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one
SMILESCCCc1cc(-c2ccccc2)oc(=O)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C22H20O3/c1-3-7-18-14-19(16-8-5-4-6-9-16)25-22(24)20(18)21(23)17-12-10-15(2)11-13-17/h4-6,8-14H,3,7H2,1-2H3
InChIKeyLKIMTLOJCFUEKZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.80
Rot. Bonds5

About 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one

3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one (PubChem CID 56931655) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one.

Molecular Properties

Compound Name3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one
PubChem CID56931655
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one
SMILESCCCc1cc(-c2ccccc2)oc(=O)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C22H20O3/c1-3-7-18-14-19(16-8-5-4-6-9-16)25-22(24)20(18)21(23)17-12-10-15(2)11-13-17/h4-6,8-14H,3,7H2,1-2H3
InChIKeyLKIMTLOJCFUEKZ-UHFFFAOYSA-N
XLogP4.80
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromobenzoyl)-6-phenyl-4-propylpyran-2-one
CID 56931658
3-hexyl-5-(4-methylphenyl)-2-phenylfuran
CID 102103698
N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
CID 71470520
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
ethyl 6-(4-tert-butylphenyl)-2-oxo-4-phenylpyran-3-carboxylate
CID 138984794
3-amino-6-(4-bromophenyl)-4-propylpyran-2-one
CID 141241879
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
3-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-6-phenylpyran-2-one
CID 173457729
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one?
The IUPAC name of 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one (CID 56931655) is 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one.
What is the SMILES notation for 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one?
The canonical SMILES for 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one is CCCc1cc(-c2ccccc2)oc(=O)c1C(=O)c1ccc(C)cc1.
What is the InChIKey of 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one?
The InChIKey is LKIMTLOJCFUEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-3-7-18-14-19(16-8-5-4-6-9-16)25-22(24)20(18)21(23)17-12-10-15(2)11-13-17/h4-6,8-14H,3,7H2,1-2H3.
What are the key properties of 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one?
3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one has a molecular weight of 332.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one is sourced from PubChem (CID 56931655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).