3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol

C10H10ClF3O2 — CID 84708305

IUPAC3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
SMILESCC(C)(O)c1c(O)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O2/c1-9(2,16)8-6(11)3-5(4-7(8)15)10(12,13)14/h3-4,15-16H,1-2H3
InChIKeyCNZPZTPVZADZTD-UHFFFAOYSA-N
MW254.63 g/mol
LogP3.29
Rot. Bonds1

About 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol

3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol (PubChem CID 84708305) has the molecular formula C10H10ClF3O2 and a molecular weight of 254.63 g/mol. Its IUPAC name is 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
PubChem CID84708305
Molecular FormulaC10H10ClF3O2
Molecular Weight254.63 g/mol
Exact Mass254.03
IUPAC Name3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
SMILESCC(C)(O)c1c(O)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O2/c1-9(2,16)8-6(11)3-5(4-7(8)15)10(12,13)14/h3-4,15-16H,1-2H3
InChIKeyCNZPZTPVZADZTD-UHFFFAOYSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117425049
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
3-(chloromethyl)-2,5-bis(trifluoromethyl)phenol
CID 134639229
2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117498005
2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol
CID 84804101
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol (CID 84708305) is 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol is CC(C)(O)c1c(O)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol?
The InChIKey is CNZPZTPVZADZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O2/c1-9(2,16)8-6(11)3-5(4-7(8)15)10(12,13)14/h3-4,15-16H,1-2H3.
What are the key properties of 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol?
3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol has a molecular weight of 254.63 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 84708305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).