2-hydroxy-4-(2-methylphenyl)pentan-3-one

C12H16O2 — CID 66769752

IUPAC2-hydroxy-4-(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1C(C)C(=O)C(C)O
InChIInChI=1S/C12H16O2/c1-8-6-4-5-7-11(8)9(2)12(14)10(3)13/h4-7,9-10,13H,1-3H3
InChIKeyMVLVCTAROJMYCK-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.05
Rot. Bonds3

About 2-hydroxy-4-(2-methylphenyl)pentan-3-one

2-hydroxy-4-(2-methylphenyl)pentan-3-one (PubChem CID 66769752) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-hydroxy-4-(2-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name2-hydroxy-4-(2-methylphenyl)pentan-3-one
PubChem CID66769752
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-hydroxy-4-(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1C(C)C(=O)C(C)O
InChIInChI=1S/C12H16O2/c1-8-6-4-5-7-11(8)9(2)12(14)10(3)13/h4-7,9-10,13H,1-3H3
InChIKeyMVLVCTAROJMYCK-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-one
CID 59036554
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
acetic acid;(2-methylphenyl)methanediol
CID 71361235
4-methyl-2-(2-methylphenyl)-3-oxopentanenitrile
CID 43156731
methyl 4-hydroxy-4-(2-methylphenyl)but-2-ynoate
CID 86096725
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
CID 100829661
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-methylphenyl)pentan-3-one?
The IUPAC name of 2-hydroxy-4-(2-methylphenyl)pentan-3-one (CID 66769752) is 2-hydroxy-4-(2-methylphenyl)pentan-3-one.
What is the SMILES notation for 2-hydroxy-4-(2-methylphenyl)pentan-3-one?
The canonical SMILES for 2-hydroxy-4-(2-methylphenyl)pentan-3-one is Cc1ccccc1C(C)C(=O)C(C)O.
What is the InChIKey of 2-hydroxy-4-(2-methylphenyl)pentan-3-one?
The InChIKey is MVLVCTAROJMYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-4-5-7-11(8)9(2)12(14)10(3)13/h4-7,9-10,13H,1-3H3.
What are the key properties of 2-hydroxy-4-(2-methylphenyl)pentan-3-one?
2-hydroxy-4-(2-methylphenyl)pentan-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-methylphenyl)pentan-3-one is sourced from PubChem (CID 66769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).