2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one

C24H32O3 — CID 142188099

IUPAC2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)OCC(C)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32O3/c1-17(15-19-7-11-21(12-8-19)24(3,4)5)16-27-18(2)23(25)20-9-13-22(26-6)14-10-20/h7-14,17-18H,15-16H2,1-6H3
InChIKeyGMJHFGXRPUKDOT-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.46
Rot. Bonds8

About 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one

2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one (PubChem CID 142188099) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one
PubChem CID142188099
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)OCC(C)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32O3/c1-17(15-19-7-11-21(12-8-19)24(3,4)5)16-27-18(2)23(25)20-9-13-22(26-6)14-10-20/h7-14,17-18H,15-16H2,1-6H3
InChIKeyGMJHFGXRPUKDOT-UHFFFAOYSA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
CID 114208468
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855511
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] methanesulfonate
CID 13311957
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7540141
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
3-benzoyl-1-(4-tert-butylphenyl)-2-(4-methoxybenzoyl)-4-(4-propan-2-ylphenyl)butane-1,4-dione
CID 67265752
1-(4-tert-butylphenyl)-2-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 175128821
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7490966
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one (CID 142188099) is 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)OCC(C)Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is GMJHFGXRPUKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-17(15-19-7-11-21(12-8-19)24(3,4)5)16-27-18(2)23(25)20-9-13-22(26-6)14-10-20/h7-14,17-18H,15-16H2,1-6H3.
What are the key properties of 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one?
2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 368.52 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 142188099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).