ethane;3-methoxy-4-(trifluoromethoxy)phenol

C10H13F3O3 — CID 142516973

IUPACethane;3-methoxy-4-(trifluoromethoxy)phenol
SMILESCC.COc1cc(O)ccc1OC(F)(F)F
InChIInChI=1S/C8H7F3O3.C2H6/c1-13-7-4-5(12)2-3-6(7)14-8(9,10)11;1-2/h2-4,12H,1H3;1-2H3
InChIKeyQSKQRTVDLNKSOE-UHFFFAOYSA-N
MW238.20 g/mol
LogP3.33
Rot. Bonds2

About ethane;3-methoxy-4-(trifluoromethoxy)phenol

ethane;3-methoxy-4-(trifluoromethoxy)phenol (PubChem CID 142516973) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is ethane;3-methoxy-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Nameethane;3-methoxy-4-(trifluoromethoxy)phenol
PubChem CID142516973
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Nameethane;3-methoxy-4-(trifluoromethoxy)phenol
SMILESCC.COc1cc(O)ccc1OC(F)(F)F
InChIInChI=1S/C8H7F3O3.C2H6/c1-13-7-4-5(12)2-3-6(7)14-8(9,10)11;1-2/h2-4,12H,1H3;1-2H3
InChIKeyQSKQRTVDLNKSOE-UHFFFAOYSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-methoxy-4-(trifluoromethoxy)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

4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
3-fluoro-4-methoxyphenol
CID 14661613
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethoxy)phenol
CID 18700104
2-bromo-1-[5-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 170998245
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 155817745

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-4-(trifluoromethoxy)phenol?
The IUPAC name of ethane;3-methoxy-4-(trifluoromethoxy)phenol (CID 142516973) is ethane;3-methoxy-4-(trifluoromethoxy)phenol.
What is the SMILES notation for ethane;3-methoxy-4-(trifluoromethoxy)phenol?
The canonical SMILES for ethane;3-methoxy-4-(trifluoromethoxy)phenol is CC.COc1cc(O)ccc1OC(F)(F)F.
What is the InChIKey of ethane;3-methoxy-4-(trifluoromethoxy)phenol?
The InChIKey is QSKQRTVDLNKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3.C2H6/c1-13-7-4-5(12)2-3-6(7)14-8(9,10)11;1-2/h2-4,12H,1H3;1-2H3.
What are the key properties of ethane;3-methoxy-4-(trifluoromethoxy)phenol?
ethane;3-methoxy-4-(trifluoromethoxy)phenol has a molecular weight of 238.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 142516973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).