1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one

C15H20O2 — CID 55096319

IUPAC1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
SMILESCc1cccc(CC(=O)CC2CCOCC2)c1
InChIInChI=1S/C15H20O2/c1-12-3-2-4-14(9-12)11-15(16)10-13-5-7-17-8-6-13/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyGUVHRFLAMNUDOL-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.92
Rot. Bonds4

About 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one

1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one (PubChem CID 55096319) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
PubChem CID55096319
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
SMILESCc1cccc(CC(=O)CC2CCOCC2)c1
InChIInChI=1S/C15H20O2/c1-12-3-2-4-14(9-12)11-15(16)10-13-5-7-17-8-6-13/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyGUVHRFLAMNUDOL-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
CID 66057601
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one?
The IUPAC name of 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one (CID 55096319) is 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one?
The canonical SMILES for 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one is Cc1cccc(CC(=O)CC2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one?
The InChIKey is GUVHRFLAMNUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12-3-2-4-14(9-12)11-15(16)10-13-5-7-17-8-6-13/h2-4,9,13H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one?
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one has a molecular weight of 232.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one is sourced from PubChem (CID 55096319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).