[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol

C15H12ClF3O2 — CID 145108431

IUPAC[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3O2/c1-9-2-4-11(7-12(9)15(17,18)19)21-14-5-3-10(8-20)6-13(14)16/h2-7,20H,8H2,1H3
InChIKeyYVYZPJVHPWAVGK-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.95
Rot. Bonds3

About [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol

[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 145108431) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID145108431
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3O2/c1-9-2-4-11(7-12(9)15(17,18)19)21-14-5-3-10(8-20)6-13(14)16/h2-7,20H,8H2,1H3
InChIKeyYVYZPJVHPWAVGK-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol 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

[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550
[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108438
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688
[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
CID 71240983
[3-chloro-4-[3-(dimethylamino)phenoxy]phenyl]methanol
CID 81152356
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol (CID 145108431) is [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol is Cc1ccc(Oc2ccc(CO)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is YVYZPJVHPWAVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c1-9-2-4-11(7-12(9)15(17,18)19)21-14-5-3-10(8-20)6-13(14)16/h2-7,20H,8H2,1H3.
What are the key properties of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 316.71 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 145108431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).