3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one

C13H18O2 — CID 82283322

IUPAC3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)CCO)c1C
InChIInChI=1S/C13H18O2/c1-8-7-9(2)11(4)13(10(8)3)12(15)5-6-14/h7,14H,5-6H2,1-4H3
InChIKeyFMDCSGXYLQYNTM-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.49
Rot. Bonds3

About 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one

3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one (PubChem CID 82283322) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
PubChem CID82283322
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)CCO)c1C
InChIInChI=1S/C13H18O2/c1-8-7-9(2)11(4)13(10(8)3)12(15)5-6-14/h7,14H,5-6H2,1-4H3
InChIKeyFMDCSGXYLQYNTM-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82116294
3-hydroxy-1-(4-hydroxy-2,3,5,6-tetramethylphenyl)propan-1-one
CID 177152810
ethyl 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 24727732
N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
CID 94273911
3-oxo-3-(2,3,5,6-tetramethylphenyl)propanal
CID 82469980
3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94266322
3-(2-methylpropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94274261
2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 82051364
3-amino-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 116915587
2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 116920632
2-(2-methylphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337311
3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
CID 24727227

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The IUPAC name of 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one (CID 82283322) is 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one.
What is the SMILES notation for 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The canonical SMILES for 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one is Cc1cc(C)c(C)c(C(=O)CCO)c1C.
What is the InChIKey of 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The InChIKey is FMDCSGXYLQYNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-7-9(2)11(4)13(10(8)3)12(15)5-6-14/h7,14H,5-6H2,1-4H3.
What are the key properties of 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one is sourced from PubChem (CID 82283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).