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

C11H14O2 — CID 22628483

IUPAC1-hydroxy-4-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CCC(=O)CO)cc1
InChIInChI=1S/C11H14O2/c1-9-2-4-10(5-3-9)6-7-11(13)8-12/h2-5,12H,6-8H2,1H3
InChIKeyOTEIABZGYLUQLL-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.49
Rot. Bonds4

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

1-hydroxy-4-(4-methylphenyl)butan-2-one (PubChem CID 22628483) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-hydroxy-4-(4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(4-methylphenyl)butan-2-one
PubChem CID22628483
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-hydroxy-4-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CCC(=O)CO)cc1
InChIInChI=1S/C11H14O2/c1-9-2-4-10(5-3-9)6-7-11(13)8-12/h2-5,12H,6-8H2,1H3
InChIKeyOTEIABZGYLUQLL-UHFFFAOYSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-4-(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

ethane;1-(4-methylphenyl)hexan-3-one
CID 143103433
1-(4-methylphenyl)dodecan-3-one
CID 105086419
6-ethylsulfonyl-1-(4-methylphenyl)hexan-3-one
CID 105103997
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
5-ethyl-1-(4-methylphenyl)heptan-3-one
CID 105125451
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
ethane;3-(4-methylphenyl)propanamide
CID 142510251
5-methylidene-1-(4-methylphenyl)heptan-3-one
CID 105113317
1-(4-methylphenyl)-9-[4-(1,2,4,5-tetrazin-3-yl)phenyl]nonane-3,7-dione
CID 158860788
5-hydroxy-1-(4-methylphenyl)pentan-2-one
CID 106677388
2-methyl-5-(4-methylphenyl)pent-1-en-3-one
CID 105113096

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(4-methylphenyl)butan-2-one?
The IUPAC name of 1-hydroxy-4-(4-methylphenyl)butan-2-one (CID 22628483) is 1-hydroxy-4-(4-methylphenyl)butan-2-one.
What is the SMILES notation for 1-hydroxy-4-(4-methylphenyl)butan-2-one?
The canonical SMILES for 1-hydroxy-4-(4-methylphenyl)butan-2-one is Cc1ccc(CCC(=O)CO)cc1.
What is the InChIKey of 1-hydroxy-4-(4-methylphenyl)butan-2-one?
The InChIKey is OTEIABZGYLUQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-2-4-10(5-3-9)6-7-11(13)8-12/h2-5,12H,6-8H2,1H3.
What are the key properties of 1-hydroxy-4-(4-methylphenyl)butan-2-one?
1-hydroxy-4-(4-methylphenyl)butan-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(4-methylphenyl)butan-2-one is sourced from PubChem (CID 22628483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).