3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one

C22H21NO — CID 67015695

IUPAC3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
SMILESCc1cc(C(=O)CC(c2ccccc2)c2ccccc2C)ccn1
InChIInChI=1S/C22H21NO/c1-16-8-6-7-11-20(16)21(18-9-4-3-5-10-18)15-22(24)19-12-13-23-17(2)14-19/h3-14,21H,15H2,1-2H3
InChIKeyPVZLQXSCBDHLAV-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.10
Rot. Bonds5

About 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one

3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one (PubChem CID 67015695) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
PubChem CID67015695
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
SMILESCc1cc(C(=O)CC(c2ccccc2)c2ccccc2C)ccn1
InChIInChI=1S/C22H21NO/c1-16-8-6-7-11-20(16)21(18-9-4-3-5-10-18)15-22(24)19-12-13-23-17(2)14-19/h3-14,21H,15H2,1-2H3
InChIKeyPVZLQXSCBDHLAV-UHFFFAOYSA-N
XLogP5.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-(3-methylsulfonylphenyl)propan-1-one
CID 66666321
(E)-3-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]prop-2-enoic acid
CID 67015514
3-[4-(3-hydroxyprop-1-ynyl)phenyl]-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66668722
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 90339531
3-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]azetidine-1-sulfonamide
CID 66668660
methyl 1-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]azetidine-3-carboxylate
CID 66666126
(3R)-3-[4-[(3-chloro-2-methoxypropyl)amino]phenyl]-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 90339525
ethyl 4-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]cyclohexane-1-carboxylate
CID 123267346
methyl 2-fluoro-4-[3-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]benzoate
CID 66667204
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]propan-1-one
CID 66668998
(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66666343
4-[4-[3-(2-methyl-4-pyridinyl)-3-oxo-1-[2-(trifluoromethyl)phenyl]propyl]phenyl]benzoic acid
CID 66666575

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one (CID 67015695) is 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one is Cc1cc(C(=O)CC(c2ccccc2)c2ccccc2C)ccn1.
What is the InChIKey of 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one?
The InChIKey is PVZLQXSCBDHLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-16-8-6-7-11-20(16)21(18-9-4-3-5-10-18)15-22(24)19-12-13-23-17(2)14-19/h3-14,21H,15H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one?
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one has a molecular weight of 315.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one is sourced from PubChem (CID 67015695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).