1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone

C18H20O2 — CID 62622412

IUPAC1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13(2)15-6-4-14(5-7-15)12-18(19)16-8-10-17(20-3)11-9-16/h4-11,13H,12H2,1-3H3
InChIKeyZKXKHOOPCWBFOB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 62622412) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID62622412
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13(2)15-6-4-14(5-7-15)12-18(19)16-8-10-17(20-3)11-9-16/h4-11,13H,12H2,1-3H3
InChIKeyZKXKHOOPCWBFOB-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;methane;1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 159705023
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 62622412) is 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is ZKXKHOOPCWBFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)15-6-4-14(5-7-15)12-18(19)16-8-10-17(20-3)11-9-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 62622412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).