1-(2-hydroxy-5-methylphenyl)butan-1-one

C11H14O2 — CID 4119461

IUPAC1-(2-hydroxy-5-methylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(C)ccc1O
InChIInChI=1S/C11H14O2/c1-3-4-10(12)9-7-8(2)5-6-11(9)13/h5-7,13H,3-4H2,1-2H3
InChIKeyHASFZPBOEXCSEC-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-hydroxy-5-methylphenyl)butan-1-one

1-(2-hydroxy-5-methylphenyl)butan-1-one (PubChem CID 4119461) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)butan-1-one
PubChem CID4119461
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-hydroxy-5-methylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(C)ccc1O
InChIInChI=1S/C11H14O2/c1-3-4-10(12)9-7-8(2)5-6-11(9)13/h5-7,13H,3-4H2,1-2H3
InChIKeyHASFZPBOEXCSEC-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-5-methylphenyl)butan-1-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

1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
sodium 4-(2-hydroxy-5-methylphenyl)-4-oxobutanoate
CID 110193908
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one
CID 6424461
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
CID 81251881
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)butan-1-one?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)butan-1-one (CID 4119461) is 1-(2-hydroxy-5-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)butan-1-one?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)butan-1-one is CCCC(=O)c1cc(C)ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)butan-1-one?
The InChIKey is HASFZPBOEXCSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-10(12)9-7-8(2)5-6-11(9)13/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)butan-1-one?
1-(2-hydroxy-5-methylphenyl)butan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)butan-1-one is sourced from PubChem (CID 4119461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).