[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol

C15H13F3O2 — CID 156591988

IUPAC[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol
SMILESCc1cccc(-c2cc(CO)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3O2/c1-10-3-2-4-12(5-10)13-6-11(9-19)7-14(8-13)20-15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyGOHVJXLOYDRXEF-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.05
Rot. Bonds3

About [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol

[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol (PubChem CID 156591988) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol
PubChem CID156591988
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol
SMILESCc1cccc(-c2cc(CO)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3O2/c1-10-3-2-4-12(5-10)13-6-11(9-19)7-14(8-13)20-15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyGOHVJXLOYDRXEF-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
CID 166176237
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3-amino-3-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 135366687

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol (CID 156591988) is [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol is Cc1cccc(-c2cc(CO)cc(OC(F)(F)F)c2)c1.
What is the InChIKey of [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol?
The InChIKey is GOHVJXLOYDRXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-10-3-2-4-12(5-10)13-6-11(9-19)7-14(8-13)20-15(16,17)18/h2-8,19H,9H2,1H3.
What are the key properties of [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol?
[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 156591988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).