2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one

C13H18O4 — CID 103453033

IUPAC2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
SMILESCCC(O)C(=O)c1ccccc1OCCOC
InChIInChI=1S/C13H18O4/c1-3-11(14)13(15)10-6-4-5-7-12(10)17-9-8-16-2/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeyQDBBXNKEMWSXLO-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.67
Rot. Bonds7

About 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one

2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one (PubChem CID 103453033) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
PubChem CID103453033
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
SMILESCCC(O)C(=O)c1ccccc1OCCOC
InChIInChI=1S/C13H18O4/c1-3-11(14)13(15)10-6-4-5-7-12(10)17-9-8-16-2/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeyQDBBXNKEMWSXLO-UHFFFAOYSA-N
XLogP1.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]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

2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one
CID 114221891
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate
CID 94811894
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one?
The IUPAC name of 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one (CID 103453033) is 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one.
What is the SMILES notation for 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one?
The canonical SMILES for 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one is CCC(O)C(=O)c1ccccc1OCCOC.
What is the InChIKey of 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one?
The InChIKey is QDBBXNKEMWSXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-11(14)13(15)10-6-4-5-7-12(10)17-9-8-16-2/h4-7,11,14H,3,8-9H2,1-2H3.
What are the key properties of 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one?
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one has a molecular weight of 238.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one is sourced from PubChem (CID 103453033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).