3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol

C15H13F3O2 — CID 53222022

IUPAC3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
SMILESCOc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C15H13F3O2/c1-9-5-10(3-4-14(9)20-2)11-6-12(15(16,17)18)8-13(19)7-11/h3-8,19H,1-2H3
InChIKeyPLOQPXUFLKTNDH-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.40
Rot. Bonds2

About 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol

3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol (PubChem CID 53222022) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
PubChem CID53222022
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
SMILESCOc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C15H13F3O2/c1-9-5-10(3-4-14(9)20-2)11-6-12(15(16,17)18)8-13(19)7-11/h3-8,19H,1-2H3
InChIKeyPLOQPXUFLKTNDH-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
CID 53218961
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324
2-chloro-4-(4-methoxy-3-methylphenyl)phenol
CID 53221309
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054
3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
CID 53222024
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol (CID 53222022) is 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol is COc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol?
The InChIKey is PLOQPXUFLKTNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-9-5-10(3-4-14(9)20-2)11-6-12(15(16,17)18)8-13(19)7-11/h3-8,19H,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol?
3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol has a molecular weight of 282.26 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 53222022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).