3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

C19H22O2 — CID 10802865

IUPAC3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22O2/c1-13-11-14(2)19(15(3)12-13)18(20)10-7-16-5-8-17(21-4)9-6-16/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeyGVNIHFBVBVCXCG-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.44
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 10802865) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID10802865
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22O2/c1-13-11-14(2)19(15(3)12-13)18(20)10-7-16-5-8-17(21-4)9-6-16/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeyGVNIHFBVBVCXCG-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 177439881
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
CID 104799534
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
3-[4-methoxy-3-(oxiran-2-ylmethoxy)phenyl]-1-(2,4,6-trimethylphenyl)propan-1-one
CID 154399487
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975974
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 4790984
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one (CID 10802865) is 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one is COc1ccc(CCC(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is GVNIHFBVBVCXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-11-14(2)19(15(3)12-13)18(20)10-7-16-5-8-17(21-4)9-6-16/h5-6,8-9,11-12H,7,10H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 10802865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).