1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene

C11H15FO2 — CID 166160017

IUPAC1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene
SMILESCOCCOc1c(C)ccc(F)c1C
InChIInChI=1S/C11H15FO2/c1-8-4-5-10(12)9(2)11(8)14-7-6-13-3/h4-5H,6-7H2,1-3H3
InChIKeyMYVUYJWEDHJWGZ-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.47
Rot. Bonds4

About 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene

1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene (PubChem CID 166160017) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene
PubChem CID166160017
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene
SMILESCOCCOc1c(C)ccc(F)c1C
InChIInChI=1S/C11H15FO2/c1-8-4-5-10(12)9(2)11(8)14-7-6-13-3/h4-5H,6-7H2,1-3H3
InChIKeyMYVUYJWEDHJWGZ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
CID 123152359
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
4,6-difluoro-5-(2-methoxyethoxy)quinoline;5-fluoro-6-methyl-4-propan-2-ylquinoline
CID 142858955
2-(fluoromethoxy)-1,3,4-trimethylbenzene
CID 89340105
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene (CID 166160017) is 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene is COCCOc1c(C)ccc(F)c1C.
What is the InChIKey of 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene?
The InChIKey is MYVUYJWEDHJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8-4-5-10(12)9(2)11(8)14-7-6-13-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene?
1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene has a molecular weight of 198.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-methoxyethoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 166160017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).