1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one

C20H24O — CID 174915700

IUPAC1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
SMILESCCCCc1ccc(CC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C20H24O/c1-3-4-7-17-9-11-18(12-10-17)14-20(21)15-19-8-5-6-16(2)13-19/h5-6,8-13H,3-4,7,14-15H2,1-2H3
InChIKeyIEEBLZPVRAWISV-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.69
Rot. Bonds7

About 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one

1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one (PubChem CID 174915700) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
PubChem CID174915700
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
SMILESCCCCc1ccc(CC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C20H24O/c1-3-4-7-17-9-11-18(12-10-17)14-20(21)15-19-8-5-6-16(2)13-19/h5-6,8-13H,3-4,7,14-15H2,1-2H3
InChIKeyIEEBLZPVRAWISV-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-butylphenyl)-3-(3-methylphenyl)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-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one;1-(4-methylphenyl)-3-(4-propylphenyl)propan-2-one
CID 174915698
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
1-(3-methylphenyl)-3-[5-[4-[5-[3-(3-methylphenyl)-2-oxopropyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propan-2-one
CID 147109926
ethane;1-methyl-3-pentylbenzene
CID 143267779
4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
CID 55067851
butylbenzene;carbonic acid
CID 158278492
azanium 2-(3-methylphenyl)acetate
CID 141323779
4-amino-1-(3-methylphenyl)pentan-2-one
CID 116555932
2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17434255
butyl 2-[(3-methylphenyl)methyl]prop-2-enoate
CID 62707188

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one?
The IUPAC name of 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one (CID 174915700) is 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one?
The canonical SMILES for 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one is CCCCc1ccc(CC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one?
The InChIKey is IEEBLZPVRAWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-3-4-7-17-9-11-18(12-10-17)14-20(21)15-19-8-5-6-16(2)13-19/h5-6,8-13H,3-4,7,14-15H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one?
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one has a molecular weight of 280.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one is sourced from PubChem (CID 174915700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).