[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol

C10H8F6O2 — CID 119001225

IUPAC[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol
SMILESCOc1c(C(F)(F)F)ccc(CO)c1C(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-18-8-6(9(11,12)13)3-2-5(4-17)7(8)10(14,15)16/h2-3,17H,4H2,1H3
InChIKeyKOYSVQPUWFUEAA-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.23
Rot. Bonds2

About [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol

[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol (PubChem CID 119001225) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol
PubChem CID119001225
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol
SMILESCOc1c(C(F)(F)F)ccc(CO)c1C(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-18-8-6(9(11,12)13)3-2-5(4-17)7(8)10(14,15)16/h2-3,17H,4H2,1H3
InChIKeyKOYSVQPUWFUEAA-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methoxy-2,4-bis(trifluoromethyl)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

[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
CID 171003011
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
CID 119023402
ethyl 3-methoxy-2,4-bis(trifluoromethyl)benzoate
CID 134640689
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
3-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 84675776
bis[3-(bromomethyl)-2-methoxy-6-(trifluoromethyl)phenyl]methanone
CID 139698520
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
[2-nitro-3,4-bis(trifluoromethyl)phenyl]methanol
CID 134638914
methyl 2-[3-iodo-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134638465
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
2-methoxy-3,4-bis(trifluoromethyl)benzaldehyde
CID 134640560

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol (CID 119001225) is [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol is COc1c(C(F)(F)F)ccc(CO)c1C(F)(F)F.
What is the InChIKey of [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is KOYSVQPUWFUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-18-8-6(9(11,12)13)3-2-5(4-17)7(8)10(14,15)16/h2-3,17H,4H2,1H3.
What are the key properties of [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol?
[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 274.16 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 119001225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).