4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol

C12H15F3O3 — CID 55131912

IUPAC4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCOCCC(C)(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3O3/c1-11(16,6-7-17-2)9-4-3-5-10(8-9)18-12(13,14)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyYSKHZKBPNHCYGD-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.83
Rot. Bonds5

About 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol

4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol (PubChem CID 55131912) has the molecular formula C12H15F3O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
PubChem CID55131912
Molecular FormulaC12H15F3O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCOCCC(C)(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3O3/c1-11(16,6-7-17-2)9-4-3-5-10(8-9)18-12(13,14)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyYSKHZKBPNHCYGD-UHFFFAOYSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81022570
3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192939
N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030
1-(3-methylpenta-1,4-dien-3-yl)-3-(trifluoromethoxy)benzene
CID 169282369
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
ethane;3-(trifluoromethoxy)phenol
CID 143201974
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol?
The IUPAC name of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol (CID 55131912) is 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol is COCCC(C)(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol?
The InChIKey is YSKHZKBPNHCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O3/c1-11(16,6-7-17-2)9-4-3-5-10(8-9)18-12(13,14)15/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol?
4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol has a molecular weight of 264.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 55131912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).