1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol

C16H23F3O2 — CID 89492956

IUPAC1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol
SMILESCCC(O)CCc1cc(OC(F)(F)F)ccc1C(C)(C)C
InChIInChI=1S/C16H23F3O2/c1-5-12(20)7-6-11-10-13(21-16(17,18)19)8-9-14(11)15(2,3)4/h8-10,12,20H,5-7H2,1-4H3
InChIKeyWFKXSZYLMFTMCK-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.59
Rot. Bonds5

About 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol

1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol (PubChem CID 89492956) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol.

Molecular Properties

Compound Name1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol
PubChem CID89492956
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol
SMILESCCC(O)CCc1cc(OC(F)(F)F)ccc1C(C)(C)C
InChIInChI=1S/C16H23F3O2/c1-5-12(20)7-6-11-10-13(21-16(17,18)19)8-9-14(11)15(2,3)4/h8-10,12,20H,5-7H2,1-4H3
InChIKeyWFKXSZYLMFTMCK-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol 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

1,2-ditert-butyl-4-(trifluoromethoxy)benzene
CID 153490283
2-fluoro-4-[2-methyl-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 89494916
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
CID 21395972
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
CID 139965700
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
CID 154277404
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178

Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol?
The IUPAC name of 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol (CID 89492956) is 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol.
What is the SMILES notation for 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol?
The canonical SMILES for 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol is CCC(O)CCc1cc(OC(F)(F)F)ccc1C(C)(C)C.
What is the InChIKey of 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol?
The InChIKey is WFKXSZYLMFTMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-5-12(20)7-6-11-10-13(21-16(17,18)19)8-9-14(11)15(2,3)4/h8-10,12,20H,5-7H2,1-4H3.
What are the key properties of 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol?
1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol has a molecular weight of 304.35 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-5-(trifluoromethoxy)phenyl]pentan-3-ol is sourced from PubChem (CID 89492956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).