3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one

C19H22O2 — CID 43625070

IUPAC3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15/h4-5,7-12,14H,6,13H2,1-3H3
InChIKeyOGROCELCLCSZJL-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.63
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one

3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 43625070) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
PubChem CID43625070
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15/h4-5,7-12,14H,6,13H2,1-3H3
InChIKeyOGROCELCLCSZJL-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974360
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 8507218

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one (CID 43625070) is 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is OGROCELCLCSZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15/h4-5,7-12,14H,6,13H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one?
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 43625070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).