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

C19H22O2 — CID 62620617

IUPAC1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-14(2)17-8-4-15(5-9-17)12-18(20)13-16-6-10-19(21-3)11-7-16/h4-11,14H,12-13H2,1-3H3
InChIKeyHFRDDGWBAYUWPZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.17
Rot. Bonds6

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

1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 62620617) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
PubChem CID62620617
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-14(2)17-8-4-15(5-9-17)12-18(20)13-16-6-10-19(21-3)11-7-16/h4-11,14H,12-13H2,1-3H3
InChIKeyHFRDDGWBAYUWPZ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one (CID 62620617) is 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one is COc1ccc(CC(=O)Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is HFRDDGWBAYUWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)17-8-4-15(5-9-17)12-18(20)13-16-6-10-19(21-3)11-7-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one?
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 62620617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).