3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol

C14H10F4O2 — CID 53221967

IUPAC3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
SMILESCc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C14H10F4O2/c1-8-2-3-9(6-13(8)15)10-4-11(19)7-12(5-10)20-14(16,17)18/h2-7,19H,1H3
InChIKeyMIKUMBMGMSOFOA-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.41
Rot. Bonds2

About 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol

3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol (PubChem CID 53221967) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
PubChem CID53221967
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
SMILESCc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C14H10F4O2/c1-8-2-3-9(6-13(8)15)10-4-11(19)7-12(5-10)20-14(16,17)18/h2-7,19H,1H3
InChIKeyMIKUMBMGMSOFOA-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)benzoic acid
CID 156591979
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
3-(4-tert-butylphenoxy)-5-[4-(trifluoromethoxy)phenyl]phenol
CID 58008384
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222199

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol (CID 53221967) is 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol is Cc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol?
The InChIKey is MIKUMBMGMSOFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c1-8-2-3-9(6-13(8)15)10-4-11(19)7-12(5-10)20-14(16,17)18/h2-7,19H,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol?
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol has a molecular weight of 286.22 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 53221967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).