1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene

C15H15FO2 — CID 59416560

IUPAC1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
SMILESCc1ccccc1OCCOc1ccc(F)cc1
InChIInChI=1S/C15H15FO2/c1-12-4-2-3-5-15(12)18-11-10-17-14-8-6-13(16)7-9-14/h2-9H,10-11H2,1H3
InChIKeyONCBBTCOFYROLV-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.59
Rot. Bonds5

About 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene

1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene (PubChem CID 59416560) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
PubChem CID59416560
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
SMILESCc1ccccc1OCCOc1ccc(F)cc1
InChIInChI=1S/C15H15FO2/c1-12-4-2-3-5-15(12)18-11-10-17-14-8-6-13(16)7-9-14/h2-9H,10-11H2,1H3
InChIKeyONCBBTCOFYROLV-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.59
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

1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411
1-[2-(4-fluorophenoxy)ethoxy]-3-methyl-2-nitrobenzene
CID 112828309
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
2-[2-(4-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 22682040
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene (CID 59416560) is 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene is Cc1ccccc1OCCOc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene?
The InChIKey is ONCBBTCOFYROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-12-4-2-3-5-15(12)18-11-10-17-14-8-6-13(16)7-9-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene?
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene has a molecular weight of 246.28 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 59416560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).