2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol

C11H12ClF3O2 — CID 117425049

IUPAC2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1C(C)(C)O
InChIInChI=1S/C11H12ClF3O2/c1-10(2,16)9-7(12)4-6(11(13,14)15)5-8(9)17-3/h4-5,16H,1-3H3
InChIKeyMWAOHJXSDDFFTF-UHFFFAOYSA-N
MW268.66 g/mol
LogP3.59
Rot. Bonds2

About 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol

2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 117425049) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID117425049
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1C(C)(C)O
InChIInChI=1S/C11H12ClF3O2/c1-10(2,16)9-7(12)4-6(11(13,14)15)5-8(9)17-3/h4-5,16H,1-3H3
InChIKeyMWAOHJXSDDFFTF-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117498005
3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
CID 84708305
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
4-amino-4-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]butanoic acid
CID 117496405
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol (CID 117425049) is 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol is COc1cc(C(F)(F)F)cc(Cl)c1C(C)(C)O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is MWAOHJXSDDFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/c1-10(2,16)9-7(12)4-6(11(13,14)15)5-8(9)17-3/h4-5,16H,1-3H3.
What are the key properties of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 268.66 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117425049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).