2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

C19H31FO6 — CID 142876062

IUPAC2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCOCCOCCOCCOCCC(=O)OC.Cc1ccc(C)c(F)c1
InChIInChI=1S/C11H22O6.C8H9F/c1-13-5-6-16-9-10-17-8-7-15-4-3-11(12)14-2;1-6-3-4-7(2)8(9)5-6/h3-10H2,1-2H3;3-5H,1-2H3
InChIKeyGTGVXWBDWGMNRD-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.69
Rot. Bonds12

About 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (PubChem CID 142876062) has the molecular formula C19H31FO6 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
PubChem CID142876062
Molecular FormulaC19H31FO6
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCOCCOCCOCCOCCC(=O)OC.Cc1ccc(C)c(F)c1
InChIInChI=1S/C11H22O6.C8H9F/c1-13-5-6-16-9-10-17-8-7-15-4-3-11(12)14-2;1-6-3-4-7(2)8(9)5-6/h3-10H2,1-2H3;3-5H,1-2H3
InChIKeyGTGVXWBDWGMNRD-UHFFFAOYSA-N
XLogP2.69
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate 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-fluoro-4-methylphenyl) 3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanoate
CID 142875989
(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 155906789
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
(2,5-dimethylphenyl)-bis(3-methoxy-3-oxopropyl)sulfanium
CID 11015984
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (CID 142876062) is 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is COCCOCCOCCOCCC(=O)OC.Cc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is GTGVXWBDWGMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6.C8H9F/c1-13-5-6-16-9-10-17-8-7-15-4-3-11(12)14-2;1-6-3-4-7(2)8(9)5-6/h3-10H2,1-2H3;3-5H,1-2H3.
What are the key properties of 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 374.45 g/mol, XLogP of 2.69, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylbenzene;methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 142876062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).