4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol

C21H19FO2 — CID 130456710

IUPAC4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2ccc(COc3ccccc3F)cc2)cc(C)c1O
InChIInChI=1S/C21H19FO2/c1-14-11-18(12-15(2)21(14)23)17-9-7-16(8-10-17)13-24-20-6-4-3-5-19(20)22/h3-12,23H,13H2,1-2H3
InChIKeyREWCQJMMYOMNDG-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.39
Rot. Bonds4

About 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol

4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol (PubChem CID 130456710) has the molecular formula C21H19FO2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
PubChem CID130456710
Molecular FormulaC21H19FO2
Molecular Weight322.38 g/mol
Exact Mass322.14
IUPAC Name4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2ccc(COc3ccccc3F)cc2)cc(C)c1O
InChIInChI=1S/C21H19FO2/c1-14-11-18(12-15(2)21(14)23)17-9-7-16(8-10-17)13-24-20-6-4-3-5-19(20)22/h3-12,23H,13H2,1-2H3
InChIKeyREWCQJMMYOMNDG-UHFFFAOYSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
CID 117220257
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117221704
2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde
CID 172688033
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol (CID 130456710) is 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol is Cc1cc(-c2ccc(COc3ccccc3F)cc2)cc(C)c1O.
What is the InChIKey of 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol?
The InChIKey is REWCQJMMYOMNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2/c1-14-11-18(12-15(2)21(14)23)17-9-7-16(8-10-17)13-24-20-6-4-3-5-19(20)22/h3-12,23H,13H2,1-2H3.
What are the key properties of 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol?
4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol has a molecular weight of 322.38 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol is sourced from PubChem (CID 130456710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).