1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone

C18H20O4 — CID 78767186

IUPAC1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCCOc1cccc(C)c1
InChIInChI=1S/C18H20O4/c1-13-5-4-6-16(11-13)21-9-10-22-17-8-7-15(14(2)19)12-18(17)20-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeyDIONVTMHBSBJFM-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.66
Rot. Bonds7

About 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone

1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone (PubChem CID 78767186) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
PubChem CID78767186
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCCOc1cccc(C)c1
InChIInChI=1S/C18H20O4/c1-13-5-4-6-16(11-13)21-9-10-22-17-8-7-15(14(2)19)12-18(17)20-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeyDIONVTMHBSBJFM-UHFFFAOYSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone 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-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
(E)-3-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22681029
N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide
CID 24534083
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 52644018
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55306738
methyl 4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzoate
CID 7694604
2-cyano-N-[2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
CID 112788064
1-[4-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]phenyl]ethanone
CID 94780517
1-[4-[2-(3-methylphenoxy)ethylsulfonyl]phenyl]ethanone
CID 94780477

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone (CID 78767186) is 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1OCCOc1cccc(C)c1.
What is the InChIKey of 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone?
The InChIKey is DIONVTMHBSBJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-13-5-4-6-16(11-13)21-9-10-22-17-8-7-15(14(2)19)12-18(17)20-3/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone?
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone has a molecular weight of 300.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 78767186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).