2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene

C13H19FO3 — CID 107171281

IUPAC2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
SMILESCOCCCOCCOc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FO3/c1-11-4-5-12(10-13(11)14)17-9-8-16-7-3-6-15-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyIGIUTQGCMWDTLG-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.57
Rot. Bonds8

About 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene

2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene (PubChem CID 107171281) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
PubChem CID107171281
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
SMILESCOCCCOCCOc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FO3/c1-11-4-5-12(10-13(11)14)17-9-8-16-7-3-6-15-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyIGIUTQGCMWDTLG-UHFFFAOYSA-N
XLogP2.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
trifluoro-[4-[2-(3-methoxypropoxy)ethoxy]-2-methylphenyl]boranuide
CID 103180931
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
trifluoro-[4-[3-(2-methoxyethoxy)propoxy]-2-methylphenyl]boranuide
CID 103410555
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene?
The IUPAC name of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene (CID 107171281) is 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene is COCCCOCCOc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene?
The InChIKey is IGIUTQGCMWDTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-11-4-5-12(10-13(11)14)17-9-8-16-7-3-6-15-2/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene?
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene has a molecular weight of 242.29 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene is sourced from PubChem (CID 107171281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).