3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one

C12H16O2 — CID 103446225

IUPAC3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CC(=O)C(C)(C)O)cc1
InChIInChI=1S/C12H16O2/c1-9-4-6-10(7-5-9)8-11(13)12(2,3)14/h4-7,14H,8H2,1-3H3
InChIKeyWYRKFNBFHDZPSG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds3

About 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one

3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one (PubChem CID 103446225) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
PubChem CID103446225
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CC(=O)C(C)(C)O)cc1
InChIInChI=1S/C12H16O2/c1-9-4-6-10(7-5-9)8-11(13)12(2,3)14/h4-7,14H,8H2,1-3H3
InChIKeyWYRKFNBFHDZPSG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 116592721
4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
CID 116573662
3-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylbutan-2-one
CID 79056100
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
3-[1,1-dihydroxy-3-(4-methylphenyl)-2-oxopropyl]-1,1-diethylurea
CID 139936824
2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
CID 164767991
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
3-hydroxy-3-methyl-4-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 66000943

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one?
The IUPAC name of 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one (CID 103446225) is 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one.
What is the SMILES notation for 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one?
The canonical SMILES for 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one is Cc1ccc(CC(=O)C(C)(C)O)cc1.
What is the InChIKey of 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one?
The InChIKey is WYRKFNBFHDZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-4-6-10(7-5-9)8-11(13)12(2,3)14/h4-7,14H,8H2,1-3H3.
What are the key properties of 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one?
3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one is sourced from PubChem (CID 103446225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).