2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone

C19H22O — CID 63411827

IUPAC2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H22O/c1-13(2)16-7-9-17(10-8-16)19(20)12-18-11-14(3)5-6-15(18)4/h5-11,13H,12H2,1-4H3
InChIKeyFFUUNNZYVOOQMC-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.85
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone

2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 63411827) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID63411827
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H22O/c1-13(2)16-7-9-17(10-8-16)19(20)12-18-11-14(3)5-6-15(18)4/h5-11,13H,12H2,1-4H3
InChIKeyFFUUNNZYVOOQMC-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-[4-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]-3-methylbutan-1-one
CID 94780171
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(2,5-dimethylphenyl)-3-hydroxybutan-2-one
CID 103451453
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 62538671
1-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 61481922

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone (CID 63411827) is 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is FFUUNNZYVOOQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13(2)16-7-9-17(10-8-16)19(20)12-18-11-14(3)5-6-15(18)4/h5-11,13H,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 266.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 63411827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).