1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one

C20H24O2 — CID 82185645

IUPAC1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one
SMILESCc1ccc(C(=O)CCc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H24O2/c1-15(2)14-22-19-6-4-5-17(13-19)9-12-20(21)18-10-7-16(3)8-11-18/h4-8,10-11,13,15H,9,12,14H2,1-3H3
InChIKeyJVMKQGUUTJIHQN-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.85
Rot. Bonds7

About 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one

1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one (PubChem CID 82185645) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one
PubChem CID82185645
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one
SMILESCc1ccc(C(=O)CCc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H24O2/c1-15(2)14-22-19-6-4-5-17(13-19)9-12-20(21)18-10-7-16(3)8-11-18/h4-8,10-11,13,15H,9,12,14H2,1-3H3
InChIKeyJVMKQGUUTJIHQN-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
1-(3,4-dimethoxyphenyl)-3-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 14369274
2-amino-2-(4-methylphenyl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667859
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
6-(3-methoxyphenyl)-1-(4-methoxyphenyl)hexan-1-one
CID 164679633

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one (CID 82185645) is 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one is Cc1ccc(C(=O)CCc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one?
The InChIKey is JVMKQGUUTJIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-15(2)14-22-19-6-4-5-17(13-19)9-12-20(21)18-10-7-16(3)8-11-18/h4-8,10-11,13,15H,9,12,14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one?
1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one has a molecular weight of 296.41 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one is sourced from PubChem (CID 82185645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).