2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one

C20H32O2 — CID 123654151

IUPAC2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one
SMILESCC(C)CC(C)(c1ccc(C(=O)C(C)(C)O)cc1)C(C)(C)C
InChIInChI=1S/C20H32O2/c1-14(2)13-20(8,18(3,4)5)16-11-9-15(10-12-16)17(21)19(6,7)22/h9-12,14,22H,13H2,1-8H3
InChIKeyXOEUGTBJYLPZAT-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.99
Rot. Bonds5

About 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one

2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one (PubChem CID 123654151) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one
PubChem CID123654151
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one
SMILESCC(C)CC(C)(c1ccc(C(=O)C(C)(C)O)cc1)C(C)(C)C
InChIInChI=1S/C20H32O2/c1-14(2)13-20(8,18(3,4)5)16-11-9-15(10-12-16)17(21)19(6,7)22/h9-12,14,22H,13H2,1-8H3
InChIKeyXOEUGTBJYLPZAT-UHFFFAOYSA-N
XLogP4.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
2-hydroxy-1-[4-[1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]propyl]phenyl]-2-methylpropan-1-one
CID 173118235
2-hydroxy-1-[4-[hydroxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;propane
CID 142964351
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
1-[4-(2-tert-butylperoxypropan-2-yl)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 19909217
3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 68791945
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-hydroxy-1-[4-[(2-hydroxypropylamino)methyl]phenyl]-2-methylpropan-1-one
CID 68742963
1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 22182131
4-[4-(2-hydroxy-2-methylpropanoyl)phenyl]butanoic acid
CID 21191564

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one (CID 123654151) is 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one is CC(C)CC(C)(c1ccc(C(=O)C(C)(C)O)cc1)C(C)(C)C.
What is the InChIKey of 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one?
The InChIKey is XOEUGTBJYLPZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)13-20(8,18(3,4)5)16-11-9-15(10-12-16)17(21)19(6,7)22/h9-12,14,22H,13H2,1-8H3.
What are the key properties of 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one?
2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one has a molecular weight of 304.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[4-(2,2,3,5-tetramethylhexan-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 123654151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).