5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one

C14H20O2 — CID 106677424

IUPAC5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one
SMILESCc1cc(C)c(CC(=O)CCCO)c(C)c1
InChIInChI=1S/C14H20O2/c1-10-7-11(2)14(12(3)8-10)9-13(16)5-4-6-15/h7-8,15H,4-6,9H2,1-3H3
InChIKeyNNARAUHCAXDBTG-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.50
Rot. Bonds5

About 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one

5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one (PubChem CID 106677424) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one
PubChem CID106677424
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one
SMILESCc1cc(C)c(CC(=O)CCCO)c(C)c1
InChIInChI=1S/C14H20O2/c1-10-7-11(2)14(12(3)8-10)9-13(16)5-4-6-15/h7-8,15H,4-6,9H2,1-3H3
InChIKeyNNARAUHCAXDBTG-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4,6-trimethylphenyl)undecan-2-one
CID 114966039
5-hydroxy-1-(4-methylphenyl)pentan-2-one
CID 106677388
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 105085803
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-one
CID 114966118
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
4,6,6-trimethyl-1-(2,4,6-trimethylphenyl)heptan-2-one
CID 114966057
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
The IUPAC name of 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one (CID 106677424) is 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
The canonical SMILES for 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one is Cc1cc(C)c(CC(=O)CCCO)c(C)c1.
What is the InChIKey of 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
The InChIKey is NNARAUHCAXDBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-7-11(2)14(12(3)8-10)9-13(16)5-4-6-15/h7-8,15H,4-6,9H2,1-3H3.
What are the key properties of 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one?
5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one has a molecular weight of 220.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one is sourced from PubChem (CID 106677424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).