1-(2-methylphenyl)-1-phenylpentan-3-one

C18H20O — CID 102348296

IUPAC1-(2-methylphenyl)-1-phenylpentan-3-one
SMILESCCC(=O)CC(c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H20O/c1-3-16(19)13-18(15-10-5-4-6-11-15)17-12-8-7-9-14(17)2/h4-12,18H,3,13H2,1-2H3
InChIKeyWPSNGWBYVHGJLJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.50
Rot. Bonds5

About 1-(2-methylphenyl)-1-phenylpentan-3-one

1-(2-methylphenyl)-1-phenylpentan-3-one (PubChem CID 102348296) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-phenylpentan-3-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-phenylpentan-3-one
PubChem CID102348296
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(2-methylphenyl)-1-phenylpentan-3-one
SMILESCCC(=O)CC(c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H20O/c1-3-16(19)13-18(15-10-5-4-6-11-15)17-12-8-7-9-14(17)2/h4-12,18H,3,13H2,1-2H3
InChIKeyWPSNGWBYVHGJLJ-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxo-2-phenylhexanoic acid
CID 13284198
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
CID 42192377
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
CID 67015695
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione
CID 29178161
(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
CID 97284820
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 25293793
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
1-ethoxy-1-phenylpentan-3-one
CID 3736570
(5R)-6-nitro-5-phenylhexan-3-one
CID 16720921

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-phenylpentan-3-one?
The IUPAC name of 1-(2-methylphenyl)-1-phenylpentan-3-one (CID 102348296) is 1-(2-methylphenyl)-1-phenylpentan-3-one.
What is the SMILES notation for 1-(2-methylphenyl)-1-phenylpentan-3-one?
The canonical SMILES for 1-(2-methylphenyl)-1-phenylpentan-3-one is CCC(=O)CC(c1ccccc1)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-1-phenylpentan-3-one?
The InChIKey is WPSNGWBYVHGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-16(19)13-18(15-10-5-4-6-11-15)17-12-8-7-9-14(17)2/h4-12,18H,3,13H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-phenylpentan-3-one?
1-(2-methylphenyl)-1-phenylpentan-3-one has a molecular weight of 252.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-phenylpentan-3-one is sourced from PubChem (CID 102348296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).