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

C17H18ClF3O2 — CID 145184573

IUPAC[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane
SMILESCC.Cc1ccc(Oc2ccc(CO)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3O2.C2H6/c1-9-2-4-11(7-12(9)15(17,18)19)21-14-5-3-10(8-20)6-13(14)16;1-2/h2-7,20H,8H2,1H3;1-2H3
InChIKeyULCXASBMCUXTIR-UHFFFAOYSA-N
MW346.78 g/mol
LogP5.98
Rot. Bonds3

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

[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane (PubChem CID 145184573) has the molecular formula C17H18ClF3O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane.

Molecular Properties

Compound Name[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane
PubChem CID145184573
Molecular FormulaC17H18ClF3O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane
SMILESCC.Cc1ccc(Oc2ccc(CO)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3O2.C2H6/c1-9-2-4-11(7-12(9)15(17,18)19)21-14-5-3-10(8-20)6-13(14)16;1-2/h2-7,20H,8H2,1H3;1-2H3
InChIKeyULCXASBMCUXTIR-UHFFFAOYSA-N
XLogP5.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.78
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane?
The IUPAC name of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane (CID 145184573) is [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane.
What is the SMILES notation for [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane?
The canonical SMILES for [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane is CC.Cc1ccc(Oc2ccc(CO)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane?
The InChIKey is ULCXASBMCUXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2.C2H6/c1-9-2-4-11(7-12(9)15(17,18)19)21-14-5-3-10(8-20)6-13(14)16;1-2/h2-7,20H,8H2,1H3;1-2H3.
What are the key properties of [3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane?
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol;ethane has a molecular weight of 346.78 g/mol, XLogP of 5.98, 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;ethane is sourced from PubChem (CID 145184573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).