2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone

C21H24O3 — CID 144809292

IUPAC2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone
SMILESCCCCc1cc(C(C)=O)ccc1CC(=O)c1ccc(O)cc1C
InChIInChI=1S/C21H24O3/c1-4-5-6-17-12-16(15(3)22)7-8-18(17)13-21(24)20-10-9-19(23)11-14(20)2/h7-12,23H,4-6,13H2,1-3H3
InChIKeyXLEDBTOSASBLHC-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.67
Rot. Bonds7

About 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone

2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone (PubChem CID 144809292) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone
PubChem CID144809292
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone
SMILESCCCCc1cc(C(C)=O)ccc1CC(=O)c1ccc(O)cc1C
InChIInChI=1S/C21H24O3/c1-4-5-6-17-12-16(15(3)22)7-8-18(17)13-21(24)20-10-9-19(23)11-14(20)2/h7-12,23H,4-6,13H2,1-3H3
InChIKeyXLEDBTOSASBLHC-UHFFFAOYSA-N
XLogP4.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 144809262
2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone;4-chloro-1,2-dimethylbenzene
CID 144809261
1-(3-but-3-enyl-4-butylphenyl)ethanone
CID 130327544
3-methyl-4-octylphenol
CID 67863636
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
ethyl 3,4-dibutylbenzoate
CID 166060053
iron;1-(2,3,4-tributylphenyl)ethanone
CID 70631281
5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264606
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
4-hydroxy-2-pentylbenzoic acid
CID 23618603
4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene
CID 174661250

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone?
The IUPAC name of 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone (CID 144809292) is 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone is CCCCc1cc(C(C)=O)ccc1CC(=O)c1ccc(O)cc1C.
What is the InChIKey of 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone?
The InChIKey is XLEDBTOSASBLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-4-5-6-17-12-16(15(3)22)7-8-18(17)13-21(24)20-10-9-19(23)11-14(20)2/h7-12,23H,4-6,13H2,1-3H3.
What are the key properties of 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone?
2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone is sourced from PubChem (CID 144809292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).