1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one

C13H18O4 — CID 67337211

IUPAC1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1OCCOC
InChIInChI=1S/C13H18O4/c1-4-12(14)11-6-5-10(16-3)9-13(11)17-8-7-15-2/h5-6,9H,4,7-8H2,1-3H3
InChIKeyAUUAOBJLDXRKIN-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.31
Rot. Bonds7

About 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one

1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one (PubChem CID 67337211) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
PubChem CID67337211
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1OCCOC
InChIInChI=1S/C13H18O4/c1-4-12(14)11-6-5-10(16-3)9-13(11)17-8-7-15-2/h5-6,9H,4,7-8H2,1-3H3
InChIKeyAUUAOBJLDXRKIN-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-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

1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
(5-methoxy-2-propanoylphenyl) thiohypochlorite
CID 155744576
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
1-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 82001830
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
N-[4-(2-methoxyethoxy)-3-propanoylphenyl]acetamide
CID 165355459
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one (CID 67337211) is 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one is CCC(=O)c1ccc(OC)cc1OCCOC.
What is the InChIKey of 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one?
The InChIKey is AUUAOBJLDXRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-12(14)11-6-5-10(16-3)9-13(11)17-8-7-15-2/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one?
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one has a molecular weight of 238.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one is sourced from PubChem (CID 67337211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).