3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol

C21H19FO3 — CID 175589747

IUPAC3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
SMILESCc1cc(O)cc(Oc2cc(C)cc(OCc3cccc(F)c3)c2)c1
InChIInChI=1S/C21H19FO3/c1-14-6-18(23)11-20(8-14)25-21-9-15(2)7-19(12-21)24-13-16-4-3-5-17(22)10-16/h3-12,23H,13H2,1-2H3
InChIKeyZYFQCLXZFBMSIK-UHFFFAOYSA-N
MW338.38 g/mol
LogP5.52
Rot. Bonds5

About 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol

3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol (PubChem CID 175589747) has the molecular formula C21H19FO3 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
PubChem CID175589747
Molecular FormulaC21H19FO3
Molecular Weight338.38 g/mol
Exact Mass338.13
IUPAC Name3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
SMILESCc1cc(O)cc(Oc2cc(C)cc(OCc3cccc(F)c3)c2)c1
InChIInChI=1S/C21H19FO3/c1-14-6-18(23)11-20(8-14)25-21-9-15(2)7-19(12-21)24-13-16-4-3-5-17(22)10-16/h3-12,23H,13H2,1-2H3
InChIKeyZYFQCLXZFBMSIK-UHFFFAOYSA-N
XLogP5.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679675
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
CID 158286848
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol?
The IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol (CID 175589747) is 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol?
The canonical SMILES for 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol is Cc1cc(O)cc(Oc2cc(C)cc(OCc3cccc(F)c3)c2)c1.
What is the InChIKey of 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol?
The InChIKey is ZYFQCLXZFBMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO3/c1-14-6-18(23)11-20(8-14)25-21-9-15(2)7-19(12-21)24-13-16-4-3-5-17(22)10-16/h3-12,23H,13H2,1-2H3.
What are the key properties of 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol?
3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol has a molecular weight of 338.38 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol is sourced from PubChem (CID 175589747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).