1-(4-hydroxy-2-methylphenoxy)propan-2-one

C10H12O3 — CID 21300949

IUPAC1-(4-hydroxy-2-methylphenoxy)propan-2-one
SMILESCC(=O)COc1ccc(O)cc1C
InChIInChI=1S/C10H12O3/c1-7-5-9(12)3-4-10(7)13-6-8(2)11/h3-5,12H,6H2,1-2H3
InChIKeyABAOEAOICPXAHJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-hydroxy-2-methylphenoxy)propan-2-one

1-(4-hydroxy-2-methylphenoxy)propan-2-one (PubChem CID 21300949) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenoxy)propan-2-one
PubChem CID21300949
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(4-hydroxy-2-methylphenoxy)propan-2-one
SMILESCC(=O)COc1ccc(O)cc1C
InChIInChI=1S/C10H12O3/c1-7-5-9(12)3-4-10(7)13-6-8(2)11/h3-5,12H,6H2,1-2H3
InChIKeyABAOEAOICPXAHJ-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-2-methylphenoxy)propan-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-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol
CID 15532232
ethane;(4E)-4-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylidenehepta-4,6-dien-2-one
CID 144784806
4-[(E)-but-2-enoxy]-3-methylphenol
CID 131233289
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 59933606
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658
2-(2,4-dimethylphenoxy)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 78777639
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
4-[(2-amino-6-methylphenyl)methoxy]-3-methylphenol
CID 129110100
N-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylbenzamide
CID 129110227
1-(4-bromo-2-ethylphenoxy)propan-2-one
CID 58963157

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenoxy)propan-2-one?
The IUPAC name of 1-(4-hydroxy-2-methylphenoxy)propan-2-one (CID 21300949) is 1-(4-hydroxy-2-methylphenoxy)propan-2-one.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenoxy)propan-2-one?
The canonical SMILES for 1-(4-hydroxy-2-methylphenoxy)propan-2-one is CC(=O)COc1ccc(O)cc1C.
What is the InChIKey of 1-(4-hydroxy-2-methylphenoxy)propan-2-one?
The InChIKey is ABAOEAOICPXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-5-9(12)3-4-10(7)13-6-8(2)11/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2-methylphenoxy)propan-2-one?
1-(4-hydroxy-2-methylphenoxy)propan-2-one has a molecular weight of 180.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenoxy)propan-2-one is sourced from PubChem (CID 21300949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).